4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid

C24H31N7O4 — CID 122445367

IUPAC4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
SMILESNCCCCCCn1cc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3C(=O)O)n2)cn1
InChIInChI=1S/C24H31N7O4/c25-10-3-1-2-4-11-30-15-17(14-26-30)19-6-5-7-20(27-19)23(32)28-21-16-31(29-22(21)24(33)34)18-8-12-35-13-9-18/h5-7,14-16,18H,1-4,8-13,25H2,(H,28,32)(H,33,34)
InChIKeyGXIOHTLABJWREA-UHFFFAOYSA-N
MW481.56 g/mol
LogP2.96
Rot. Bonds11

About 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid

4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid (PubChem CID 122445367) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
PubChem CID122445367
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC Name4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
SMILESNCCCCCCn1cc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3C(=O)O)n2)cn1
InChIInChI=1S/C24H31N7O4/c25-10-3-1-2-4-11-30-15-17(14-26-30)19-6-5-7-20(27-19)23(32)28-21-16-31(29-22(21)24(33)34)18-8-12-35-13-9-18/h5-7,14-16,18H,1-4,8-13,25H2,(H,28,32)(H,33,34)
InChIKeyGXIOHTLABJWREA-UHFFFAOYSA-N
XLogP2.96
TPSA150.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid with MolForge

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Related Compounds

4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate
CID 140797934
6-[1-(2-chloroethyl)pyrazol-4-yl]-N-[1-methyl-3-(morpholin-2-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 122472125
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 146424772
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-[3-(difluoromethyl)-1-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]pyridine-2-carboxamide
CID 146437520
4-[3-[4-[[6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-3-(difluoromethyl)pyrazol-1-yl]azetidin-1-yl]-2-methylpiperidine-1-carboxylic acid
CID 156562774
tert-butyl 4-[4-amino-3-[6-[4-(6-formyloxy-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 122472113
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 146437628
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 118060953
3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid
CID 163221712
10-(4-phenylpyrazol-1-yl)decan-1-amine
CID 150162722
N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 176705407
6-[4-[8-(oxan-4-yl)quinoxalin-2-yl]pyrazol-1-yl]hexylcarbamic acid
CID 174190304

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid (CID 122445367) is 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid is NCCCCCCn1cc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3C(=O)O)n2)cn1.
What is the InChIKey of 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is GXIOHTLABJWREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4/c25-10-3-1-2-4-11-30-15-17(14-26-30)19-6-5-7-20(27-19)23(32)28-21-16-31(29-22(21)24(33)34)18-8-12-35-13-9-18/h5-7,14-16,18H,1-4,8-13,25H2,(H,28,32)(H,33,34).
What are the key properties of 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid?
4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 481.56 g/mol, XLogP of 2.96, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 122445367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).