1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide

C27H28N6O2 — CID 55808184

IUPAC1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)N3CCC(C(=O)Nc4ccccn4)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C27H28N6O2/c1-18(2)33-25-22(17-29-33)21(16-23(30-25)19-8-4-3-5-9-19)27(35)32-14-11-20(12-15-32)26(34)31-24-10-6-7-13-28-24/h3-10,13,16-18,20H,11-12,14-15H2,1-2H3,(H,28,31,34)
InChIKeyKSMPTERKGMHJLB-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.57
Rot. Bonds5

About 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide

1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55808184) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55808184
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)N3CCC(C(=O)Nc4ccccn4)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C27H28N6O2/c1-18(2)33-25-22(17-29-33)21(16-23(30-25)19-8-4-3-5-9-19)27(35)32-14-11-20(12-15-32)26(34)31-24-10-6-7-13-28-24/h3-10,13,16-18,20H,11-12,14-15H2,1-2H3,(H,28,31,34)
InChIKeyKSMPTERKGMHJLB-UHFFFAOYSA-N
XLogP4.57
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 32978575
N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 30087541
tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 55736757
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537313
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956
6-cyclopropyl-1-propan-2-yl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35034977
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 26004820
6-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27554312
3-methyl-2-[4-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]butanenitrile
CID 56532547
2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55781059

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55808184) is 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide is CC(C)n1ncc2c(C(=O)N3CCC(C(=O)Nc4ccccn4)CC3)cc(-c3ccccc3)nc21.
What is the InChIKey of 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is KSMPTERKGMHJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-18(2)33-25-22(17-29-33)21(16-23(30-25)19-8-4-3-5-9-19)27(35)32-14-11-20(12-15-32)26(34)31-24-10-6-7-13-28-24/h3-10,13,16-18,20H,11-12,14-15H2,1-2H3,(H,28,31,34).
What are the key properties of 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55808184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).