6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C30H36N6O4 — CID 23648154

IUPAC6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN4CCC[C@@H]4O)CC2)CC3)cc1
InChIInChI=1S/C30H36N6O4/c1-40-23-10-8-22(9-11-23)36-28-24(27(32-36)29(31)38)14-18-35(30(28)39)21-12-16-33(17-13-21)25-6-3-2-5-20(25)19-34-15-4-7-26(34)37/h2-3,5-6,8-11,21,26,37H,4,7,12-19H2,1H3,(H2,31,38)/t26-/m0/s1
InChIKeyLJAOENIQJNXLHY-SANMLTNESA-N
MW544.66 g/mol
LogP2.56
Rot. Bonds7

About 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 23648154) has the molecular formula C30H36N6O4 and a molecular weight of 544.66 g/mol. Its IUPAC name is 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID23648154
Molecular FormulaC30H36N6O4
Molecular Weight544.66 g/mol
Exact Mass544.28
IUPAC Name6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN4CCC[C@@H]4O)CC2)CC3)cc1
InChIInChI=1S/C30H36N6O4/c1-40-23-10-8-22(9-11-23)36-28-24(27(32-36)29(31)38)14-18-35(30(28)39)21-12-16-33(17-13-21)25-6-3-2-5-20(25)19-34-15-4-7-26(34)37/h2-3,5-6,8-11,21,26,37H,4,7,12-19H2,1H3,(H2,31,38)/t26-/m0/s1
InChIKeyLJAOENIQJNXLHY-SANMLTNESA-N
XLogP2.56
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.66
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 23648154) is 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN4CCC[C@@H]4O)CC2)CC3)cc1.
What is the InChIKey of 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is LJAOENIQJNXLHY-SANMLTNESA-N. The full InChI is InChI=1S/C30H36N6O4/c1-40-23-10-8-22(9-11-23)36-28-24(27(32-36)29(31)38)14-18-35(30(28)39)21-12-16-33(17-13-21)25-6-3-2-5-20(25)19-34-15-4-7-26(34)37/h2-3,5-6,8-11,21,26,37H,4,7,12-19H2,1H3,(H2,31,38)/t26-/m0/s1.
What are the key properties of 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 544.66 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-[[(2S)-2-hydroxypyrrolidin-1-yl]methyl]phenyl]piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 23648154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).