N-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C27H31N7O — CID 56928525

IUPACN-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1c(CN2CCC[C@@H](NC(=O)N3CCc4[nH]nc(-c5ccncc5)c4C3)C2)cc2ccccc21
InChIInChI=1S/C27H31N7O/c1-32-22(15-20-5-2-3-7-25(20)32)17-33-13-4-6-21(16-33)29-27(35)34-14-10-24-23(18-34)26(31-30-24)19-8-11-28-12-9-19/h2-3,5,7-9,11-12,15,21H,4,6,10,13-14,16-18H2,1H3,(H,29,35)(H,30,31)/t21-/m1/s1
InChIKeyDAFPVAGDEHFWJA-OAQYLSRUSA-N
MW469.59 g/mol
LogP3.70
Rot. Bonds4

About N-[(3R)-1-[(1-methylindol-2-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-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56928525) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[(3R)-1-[(1-methylindol-2-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-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID56928525
Molecular FormulaC27H31N7O
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC NameN-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1c(CN2CCC[C@@H](NC(=O)N3CCc4[nH]nc(-c5ccncc5)c4C3)C2)cc2ccccc21
InChIInChI=1S/C27H31N7O/c1-32-22(15-20-5-2-3-7-25(20)32)17-33-13-4-6-21(16-33)29-27(35)34-14-10-24-23(18-34)26(31-30-24)19-8-11-28-12-9-19/h2-3,5,7-9,11-12,15,21H,4,6,10,13-14,16-18H2,1H3,(H,29,35)(H,30,31)/t21-/m1/s1
InChIKeyDAFPVAGDEHFWJA-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-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(1-methylindol-2-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-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56928525) is N-[(3R)-1-[(1-methylindol-2-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-2-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-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cn1c(CN2CCC[C@@H](NC(=O)N3CCc4[nH]nc(-c5ccncc5)c4C3)C2)cc2ccccc21.
What is the InChIKey of N-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is DAFPVAGDEHFWJA-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H31N7O/c1-32-22(15-20-5-2-3-7-25(20)32)17-33-13-4-6-21(16-33)29-27(35)34-14-10-24-23(18-34)26(31-30-24)19-8-11-28-12-9-19/h2-3,5,7-9,11-12,15,21H,4,6,10,13-14,16-18H2,1H3,(H,29,35)(H,30,31)/t21-/m1/s1.
What are the key properties of N-[(3R)-1-[(1-methylindol-2-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-2-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-2-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 56928525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).