(1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one

C182H237N21O15 — CID 157429472

IUPAC(1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)C(c1cnccc1OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@@H](c1ccccc1)N1CC(CCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)[C@@H](c1ccccc1)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)[C@H](c1ccccc1)N1CC(CCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)[C@H](c1ccccc1)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/2C28H35N3O3.C28H39N3O3.2C25H33N3O.2C24H31N3O2/c2*32-27(23-14-17-31(19-23)26(28(33)34)22-7-2-1-3-8-22)30-15-12-20(13-16-30)18-24-11-10-21-6-4-5-9-25(21)29-24;1-20(2)34-27-13-15-29-18-25(27)28(21(3)32)31-16-14-24(19-31)33-17-7-6-9-23-12-11-22-8-4-5-10-26(22)30-23;2*1-19(29)24(21-10-5-3-6-11-21)28-17-20(18-28)9-4-2-7-13-23-15-14-22-12-8-16-26-25(22)27-23;2*1-18(28)23(19-8-3-2-4-9-19)27-16-22(17-27)29-15-6-5-11-21-13-12-20-10-7-14-25-24(20)26-21/h2*1-3,7-8,10-11,20,23,26H,4-6,9,12-19H2,(H,33,34);11-13,15,18,20,24,28H,4-10,14,16-17,19H2,1-3H3;2*3,5-6,10-11,14-15,20,24H,2,4,7-9,12-13,16-18H2,1H3,(H,26,27);2*2-4,8-9,12-13,22-23H,5-7,10-11,14-17H2,1H3,(H,25,26)/t23-,26+;23-,26-;24-,28?;2*24-;2*23-/m1111010/s1
InChIKeyBQIZXKJDLFRVDF-GMGXDFGMSA-N
MW2959.03 g/mol
LogP29.86
Rot. Bonds59

About (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one

(1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one (PubChem CID 157429472) has the molecular formula C182H237N21O15 and a molecular weight of 2959.03 g/mol. Its IUPAC name is (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name(1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
PubChem CID157429472
Molecular FormulaC182H237N21O15
Molecular Weight2959.03 g/mol
Exact Mass2956.84
IUPAC Name(1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)C(c1cnccc1OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@@H](c1ccccc1)N1CC(CCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)[C@@H](c1ccccc1)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)[C@H](c1ccccc1)N1CC(CCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)[C@H](c1ccccc1)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/2C28H35N3O3.C28H39N3O3.2C25H33N3O.2C24H31N3O2/c2*32-27(23-14-17-31(19-23)26(28(33)34)22-7-2-1-3-8-22)30-15-12-20(13-16-30)18-24-11-10-21-6-4-5-9-25(21)29-24;1-20(2)34-27-13-15-29-18-25(27)28(21(3)32)31-16-14-24(19-31)33-17-7-6-9-23-12-11-22-8-4-5-10-26(22)30-23;2*1-19(29)24(21-10-5-3-6-11-21)28-17-20(18-28)9-4-2-7-13-23-15-14-22-12-8-16-26-25(22)27-23;2*1-18(28)23(19-8-3-2-4-9-19)27-16-22(17-27)29-15-6-5-11-21-13-12-20-10-7-14-25-24(20)26-21/h2*1-3,7-8,10-11,20,23,26H,4-6,9,12-19H2,(H,33,34);11-13,15,18,20,24,28H,4-10,14,16-17,19H2,1-3H3;2*3,5-6,10-11,14-15,20,24H,2,4,7-9,12-13,16-18H2,1H3,(H,26,27);2*2-4,8-9,12-13,22-23H,5-7,10-11,14-17H2,1H3,(H,25,26)/t23-,26+;23-,26-;24-,28?;2*24-;2*23-/m1111010/s1
InChIKeyBQIZXKJDLFRVDF-GMGXDFGMSA-N
XLogP29.86
TPSA411.41 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds59
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002959.03
LogP ≤ 529.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?
The IUPAC name of (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one (CID 157429472) is (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one is CC(=O)C(c1cnccc1OC(C)C)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@@H](c1ccccc1)N1CC(CCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)[C@@H](c1ccccc1)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)[C@H](c1ccccc1)N1CC(CCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)[C@H](c1ccccc1)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.
What is the InChIKey of (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?
The InChIKey is BQIZXKJDLFRVDF-GMGXDFGMSA-N. The full InChI is InChI=1S/2C28H35N3O3.C28H39N3O3.2C25H33N3O.2C24H31N3O2/c2*32-27(23-14-17-31(19-23)26(28(33)34)22-7-2-1-3-8-22)30-15-12-20(13-16-30)18-24-11-10-21-6-4-5-9-25(21)29-24;1-20(2)34-27-13-15-29-18-25(27)28(21(3)32)31-16-14-24(19-31)33-17-7-6-9-23-12-11-22-8-4-5-10-26(22)30-23;2*1-19(29)24(21-10-5-3-6-11-21)28-17-20(18-28)9-4-2-7-13-23-15-14-22-12-8-16-26-25(22)27-23;2*1-18(28)23(19-8-3-2-4-9-19)27-16-22(17-27)29-15-6-5-11-21-13-12-20-10-7-14-25-24(20)26-21/h2*1-3,7-8,10-11,20,23,26H,4-6,9,12-19H2,(H,33,34);11-13,15,18,20,24,28H,4-10,14,16-17,19H2,1-3H3;2*3,5-6,10-11,14-15,20,24H,2,4,7-9,12-13,16-18H2,1H3,(H,26,27);2*2-4,8-9,12-13,22-23H,5-7,10-11,14-17H2,1H3,(H,25,26)/t23-,26+;23-,26-;24-,28?;2*24-;2*23-/m1111010/s1.
What are the key properties of (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?
(1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one has a molecular weight of 2959.03 g/mol, XLogP of 29.86, 59 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]propan-2-one;(1S)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(1R)-1-phenyl-1-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]azetidin-1-yl]propan-2-one;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;1-(4-propan-2-yloxy-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 157429472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).