5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

C20H22N8O3 — CID 154654411

IUPAC5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(N3CCNCC3)nc2)c1
InChIInChI=1S/C20H22N8O3/c1-31-15-8-13(9-22-11-15)19(29)26-16-12-24-27-18(16)20(30)25-14-2-3-17(23-10-14)28-6-4-21-5-7-28/h2-3,8-12,21H,4-7H2,1H3,(H,24,27)(H,25,30)(H,26,29)
InChIKeyZHBONJDHKAVIJZ-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.12
Rot. Bonds6

About 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 154654411) has the molecular formula C20H22N8O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID154654411
Molecular FormulaC20H22N8O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC Name5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(N3CCNCC3)nc2)c1
InChIInChI=1S/C20H22N8O3/c1-31-15-8-13(9-22-11-15)19(29)26-16-12-24-27-18(16)20(30)25-14-2-3-17(23-10-14)28-6-4-21-5-7-28/h2-3,8-12,21H,4-7H2,1H3,(H,24,27)(H,25,30)(H,26,29)
InChIKeyZHBONJDHKAVIJZ-UHFFFAOYSA-N
XLogP1.12
TPSA137.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 118224451
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 124156596
4-[2-(5-piperidin-4-yloxy-3-pyridinyl)ethynyl]-N-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 154654392
4-[5-(dimethylcarbamoyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)pyrazolo[1,5-a]pyridine-6-carboxamide
CID 71454074
3-methyl-2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278521
6-Morpholino-5-(1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89908065
N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 154654067
5-methoxy-N-[5-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654093
5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654108
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 154654174
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide
CID 154654213
5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654243

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 154654411) is 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is COc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(N3CCNCC3)nc2)c1.
What is the InChIKey of 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is ZHBONJDHKAVIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O3/c1-31-15-8-13(9-22-11-15)19(29)26-16-12-24-27-18(16)20(30)25-14-2-3-17(23-10-14)28-6-4-21-5-7-28/h2-3,8-12,21H,4-7H2,1H3,(H,24,27)(H,25,30)(H,26,29).
What are the key properties of 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 1.12, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[5-[(6-piperazin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154654411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).