1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid

C172H230ClN21O17 — CID 157379618

IUPAC1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
SMILESCC(=O)C(c1ccccc1Cl)N1C[C@@H]2C(C(=O)CCCCc3ccc4c(n3)NCCC4)[C@@H]2C1.CC(=O)CN1CCC(C(=O)NCCC(C)c2ccc3c(n2)CCCC3)CC1.CC(=O)[C@@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.O=C(O)CN1CCC2(CC1)CCN(CCCc1ccc3c(n1)CCCC3)C2=O.O=C(O)CN1CCC2(CCCN(CCCc3ccc4c(n3)CCCC4)C2=O)CC1.O=C(O)[C@@H](c1ccccc1)N1CC(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/C27H32ClN3O2.C26H31N3O3.2C26H35N3O2.C23H33N3O3.C22H31N3O3.C22H33N3O2/c1-17(32)26(20-9-3-4-10-23(20)28)31-15-21-22(16-31)25(21)24(33)11-5-2-8-19-13-12-18-7-6-14-29-27(18)30-19;30-25(21-16-29(17-21)24(26(31)32)20-7-2-1-3-8-20)28-14-12-19(13-15-28)23-11-10-18-6-4-5-9-22(18)27-23;2*1-20(30)25(21-8-3-2-4-9-21)29-17-14-24(15-18-29)31-19-6-5-11-23-13-12-22-10-7-16-27-26(22)28-23;27-21(28)17-25-15-11-23(12-16-25)10-4-14-26(22(23)29)13-3-6-19-9-8-18-5-1-2-7-20(18)24-19;26-20(27)16-24-13-9-22(10-14-24)11-15-25(21(22)28)12-3-5-18-8-7-17-4-1-2-6-19(17)23-18;1-16(20-8-7-18-5-3-4-6-21(18)24-20)9-12-23-22(27)19-10-13-25(14-11-19)15-17(2)26/h3-4,9-10,12-13,21-22,25-26H,2,5-8,11,14-16H2,1H3,(H,29,30);1-3,7-8,10-11,19,21,24H,4-6,9,12-17H2,(H,31,32);2*2-4,8-9,12-13,24-25H,5-7,10-11,14-19H2,1H3,(H,27,28);8-9H,1-7,10-17H2,(H,27,28);7-8H,1-6,9-16H2,(H,26,27);7-8,16,19H,3-6,9-15H2,1-2H3,(H,23,27)/t21-,22+,25?,26?;24-;2*25-;;;/m.110.../s1
InChIKeyBKSLBCWNLSTWEL-OMVIEYNOSA-N
MW2899.31 g/mol
LogP25.30
Rot. Bonds51

About 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid

1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid (PubChem CID 157379618) has the molecular formula C172H230ClN21O17 and a molecular weight of 2899.31 g/mol. Its IUPAC name is 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
PubChem CID157379618
Molecular FormulaC172H230ClN21O17
Molecular Weight2899.31 g/mol
Exact Mass2896.75
IUPAC Name1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid
SMILESCC(=O)C(c1ccccc1Cl)N1C[C@@H]2C(C(=O)CCCCc3ccc4c(n3)NCCC4)[C@@H]2C1.CC(=O)CN1CCC(C(=O)NCCC(C)c2ccc3c(n2)CCCC3)CC1.CC(=O)[C@@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.O=C(O)CN1CCC2(CC1)CCN(CCCc1ccc3c(n1)CCCC3)C2=O.O=C(O)CN1CCC2(CCCN(CCCc3ccc4c(n3)CCCC4)C2=O)CC1.O=C(O)[C@@H](c1ccccc1)N1CC(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/C27H32ClN3O2.C26H31N3O3.2C26H35N3O2.C23H33N3O3.C22H31N3O3.C22H33N3O2/c1-17(32)26(20-9-3-4-10-23(20)28)31-15-21-22(16-31)25(21)24(33)11-5-2-8-19-13-12-18-7-6-14-29-27(18)30-19;30-25(21-16-29(17-21)24(26(31)32)20-7-2-1-3-8-20)28-14-12-19(13-15-28)23-11-10-18-6-4-5-9-22(18)27-23;2*1-20(30)25(21-8-3-2-4-9-21)29-17-14-24(15-18-29)31-19-6-5-11-23-13-12-22-10-7-16-27-26(22)28-23;27-21(28)17-25-15-11-23(12-16-25)10-4-14-26(22(23)29)13-3-6-19-9-8-18-5-1-2-7-20(18)24-19;26-20(27)16-24-13-9-22(10-14-24)11-15-25(21(22)28)12-3-5-18-8-7-17-4-1-2-6-19(17)23-18;1-16(20-8-7-18-5-3-4-6-21(18)24-20)9-12-23-22(27)19-10-13-25(14-11-19)15-17(2)26/h3-4,9-10,12-13,21-22,25-26H,2,5-8,11,14-16H2,1H3,(H,29,30);1-3,7-8,10-11,19,21,24H,4-6,9,12-17H2,(H,31,32);2*2-4,8-9,12-13,24-25H,5-7,10-11,14-19H2,1H3,(H,27,28);8-9H,1-7,10-17H2,(H,27,28);7-8H,1-6,9-16H2,(H,26,27);7-8,16,19H,3-6,9-15H2,1-2H3,(H,23,27)/t21-,22+,25?,26?;24-;2*25-;;;/m.110.../s1
InChIKeyBKSLBCWNLSTWEL-OMVIEYNOSA-N
XLogP25.30
TPSA454.74 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds51
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002899.31
LogP ≤ 525.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
The IUPAC name of 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid (CID 157379618) is 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid.
What is the SMILES notation for 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
The canonical SMILES for 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid is CC(=O)C(c1ccccc1Cl)N1C[C@@H]2C(C(=O)CCCCc3ccc4c(n3)NCCC4)[C@@H]2C1.CC(=O)CN1CCC(C(=O)NCCC(C)c2ccc3c(n2)CCCC3)CC1.CC(=O)[C@@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)[C@H](c1ccccc1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)CC1.O=C(O)CN1CCC2(CC1)CCN(CCCc1ccc3c(n1)CCCC3)C2=O.O=C(O)CN1CCC2(CCCN(CCCc3ccc4c(n3)CCCC4)C2=O)CC1.O=C(O)[C@@H](c1ccccc1)N1CC(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.
What is the InChIKey of 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
The InChIKey is BKSLBCWNLSTWEL-OMVIEYNOSA-N. The full InChI is InChI=1S/C27H32ClN3O2.C26H31N3O3.2C26H35N3O2.C23H33N3O3.C22H31N3O3.C22H33N3O2/c1-17(32)26(20-9-3-4-10-23(20)28)31-15-21-22(16-31)25(21)24(33)11-5-2-8-19-13-12-18-7-6-14-29-27(18)30-19;30-25(21-16-29(17-21)24(26(31)32)20-7-2-1-3-8-20)28-14-12-19(13-15-28)23-11-10-18-6-4-5-9-22(18)27-23;2*1-20(30)25(21-8-3-2-4-9-21)29-17-14-24(15-18-29)31-19-6-5-11-23-13-12-22-10-7-16-27-26(22)28-23;27-21(28)17-25-15-11-23(12-16-25)10-4-14-26(22(23)29)13-3-6-19-9-8-18-5-1-2-7-20(18)24-19;26-20(27)16-24-13-9-22(10-14-24)11-15-25(21(22)28)12-3-5-18-8-7-17-4-1-2-6-19(17)23-18;1-16(20-8-7-18-5-3-4-6-21(18)24-20)9-12-23-22(27)19-10-13-25(14-11-19)15-17(2)26/h3-4,9-10,12-13,21-22,25-26H,2,5-8,11,14-16H2,1H3,(H,29,30);1-3,7-8,10-11,19,21,24H,4-6,9,12-17H2,(H,31,32);2*2-4,8-9,12-13,24-25H,5-7,10-11,14-19H2,1H3,(H,27,28);8-9H,1-7,10-17H2,(H,27,28);7-8H,1-6,9-16H2,(H,26,27);7-8,16,19H,3-6,9-15H2,1-2H3,(H,23,27)/t21-,22+,25?,26?;24-;2*25-;;;/m.110.../s1.
What are the key properties of 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid?
1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid has a molecular weight of 2899.31 g/mol, XLogP of 25.30, 51 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-[1-(2-chlorophenyl)-2-oxopropyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidine-4-carboxamide;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,8-diazaspiro[4.5]decan-8-yl]acetic acid;2-[1-oxo-2-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-2,9-diazaspiro[5.5]undecan-9-yl]acetic acid;(1S)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid is sourced from PubChem (CID 157379618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).