N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C27H31N7O — CID 56942061

IUPACN-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1cc(CN2CCC[C@@H](NC(=O)N3CCc4[nH]nc(-c5ccncc5)c4C3)C2)c2ccccc21
InChIInChI=1S/C27H31N7O/c1-32-15-20(22-6-2-3-7-25(22)32)16-33-13-4-5-21(17-33)29-27(35)34-14-10-24-23(18-34)26(31-30-24)19-8-11-28-12-9-19/h2-3,6-9,11-12,15,21H,4-5,10,13-14,16-18H2,1H3,(H,29,35)(H,30,31)/t21-/m1/s1
InChIKeyKICGGKSEMQYBFG-OAQYLSRUSA-N
MW469.59 g/mol
LogP3.70
Rot. Bonds4

About N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56942061) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID56942061
Molecular FormulaC27H31N7O
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC NameN-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1cc(CN2CCC[C@@H](NC(=O)N3CCc4[nH]nc(-c5ccncc5)c4C3)C2)c2ccccc21
InChIInChI=1S/C27H31N7O/c1-32-15-20(22-6-2-3-7-25(22)32)16-33-13-4-5-21(17-33)29-27(35)34-14-10-24-23(18-34)26(31-30-24)19-8-11-28-12-9-19/h2-3,6-9,11-12,15,21H,4-5,10,13-14,16-18H2,1H3,(H,29,35)(H,30,31)/t21-/m1/s1
InChIKeyKICGGKSEMQYBFG-OAQYLSRUSA-N
XLogP3.70
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56942061) is N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cn1cc(CN2CCC[C@@H](NC(=O)N3CCc4[nH]nc(-c5ccncc5)c4C3)C2)c2ccccc21.
What is the InChIKey of N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is KICGGKSEMQYBFG-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H31N7O/c1-32-15-20(22-6-2-3-7-25(22)32)16-33-13-4-5-21(17-33)29-27(35)34-14-10-24-23(18-34)26(31-30-24)19-8-11-28-12-9-19/h2-3,6-9,11-12,15,21H,4-5,10,13-14,16-18H2,1H3,(H,29,35)(H,30,31)/t21-/m1/s1.
What are the key properties of N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56942061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).