[(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate

C36H44N6O4 — CID 11657395

IUPAC[(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
SMILESCc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC3(CCN(C)CC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-32(24)28)21-31(34(44)41-17-11-36(12-18-41)9-15-40(2)16-10-36)46-35(45)42-13-7-26(8-14-42)29-22-27-5-3-4-6-30(27)38-33(29)43/h3-6,19-20,22-23,26,31H,7-18,21H2,1-2H3,(H,37,39)(H,38,43)/t31-/m1/s1
InChIKeyHRZHXNOUBFMSNO-WJOKGBTCSA-N
MW624.79 g/mol
LogP4.97
Rot. Bonds5

About [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate

[(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate (PubChem CID 11657395) has the molecular formula C36H44N6O4 and a molecular weight of 624.79 g/mol. Its IUPAC name is [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
PubChem CID11657395
Molecular FormulaC36H44N6O4
Molecular Weight624.79 g/mol
Exact Mass624.34
IUPAC Name[(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
SMILESCc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC3(CCN(C)CC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-32(24)28)21-31(34(44)41-17-11-36(12-18-41)9-15-40(2)16-10-36)46-35(45)42-13-7-26(8-14-42)29-22-27-5-3-4-6-30(27)38-33(29)43/h3-6,19-20,22-23,26,31H,7-18,21H2,1-2H3,(H,37,39)(H,38,43)/t31-/m1/s1
InChIKeyHRZHXNOUBFMSNO-WJOKGBTCSA-N
XLogP4.97
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.79
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(R)-1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
CID 11498219
(R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
CID 11512851
(R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl 4-(8-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
CID 11520204
(R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl 4-(7-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxylate
CID 11549159
[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 11592648
(R)-1-(4-(5,6-dihydropyridin-1(2H)-yl)piperidin-1-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
CID 11599798
(R)-1-(4-(4-fluorophenyl)piperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
CID 11599872
(R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl 4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxylate
CID 11599913
[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 11621504
(R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
CID 11685954
[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 4-isoquinolin-3-ylpiperidine-1-carboxylate
CID 44583379
2-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
CID 70681270

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate?
The IUPAC name of [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate (CID 11657395) is [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate is Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC3(CCN(C)CC3)CC2)cc2cn[nH]c12.
What is the InChIKey of [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate?
The InChIKey is HRZHXNOUBFMSNO-WJOKGBTCSA-N. The full InChI is InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-32(24)28)21-31(34(44)41-17-11-36(12-18-41)9-15-40(2)16-10-36)46-35(45)42-13-7-26(8-14-42)29-22-27-5-3-4-6-30(27)38-33(29)43/h3-6,19-20,22-23,26,31H,7-18,21H2,1-2H3,(H,37,39)(H,38,43)/t31-/m1/s1.
What are the key properties of [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate?
[(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate has a molecular weight of 624.79 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 11657395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).