2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid

C17H17N7O2 — CID 164944218

IUPAC2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid
SMILESCN1Cc2cn(C)nc2-c2cccc(Nc3nc(N)ncc3C(=O)O)c21
InChIInChI=1S/C17H17N7O2/c1-23-7-9-8-24(2)22-13(9)10-4-3-5-12(14(10)23)20-15-11(16(25)26)6-19-17(18)21-15/h3-6,8H,7H2,1-2H3,(H,25,26)(H3,18,19,20,21)
InChIKeyRDZQFROPAIRMDS-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid

2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid (PubChem CID 164944218) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid
PubChem CID164944218
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid
SMILESCN1Cc2cn(C)nc2-c2cccc(Nc3nc(N)ncc3C(=O)O)c21
InChIInChI=1S/C17H17N7O2/c1-23-7-9-8-24(2)22-13(9)10-4-3-5-12(14(10)23)20-15-11(16(25)26)6-19-17(18)21-15/h3-6,8H,7H2,1-2H3,(H,25,26)(H3,18,19,20,21)
InChIKeyRDZQFROPAIRMDS-UHFFFAOYSA-N
XLogP1.85
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid with MolForge

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridine-3-carboxamide
CID 164903097
4-[(2-methyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazol-7-yl)amino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
CID 171626605
6-bromo-2,5-dimethyl-4H-pyrazolo[4,3-c]quinoline
CID 164944255
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164944216
4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175976109
ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate
CID 171626464
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxylic acid
CID 166064429
4-[3-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-2-[(1-methylpyrazol-3-yl)amino]pyrimidine-5-carboxylic acid
CID 171626441
4-[(6-methyl-5H-pyrimido[5,4-c]quinolin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963342
4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxylic acid
CID 171818579
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164902968
6-(cyclopropanecarbonylamino)-4-[[8-fluoro-5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c]quinolin-6-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164944400

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid (CID 164944218) is 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid is CN1Cc2cn(C)nc2-c2cccc(Nc3nc(N)ncc3C(=O)O)c21.
What is the InChIKey of 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is RDZQFROPAIRMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-23-7-9-8-24(2)22-13(9)10-4-3-5-12(14(10)23)20-15-11(16(25)26)6-19-17(18)21-15/h3-6,8H,7H2,1-2H3,(H,25,26)(H3,18,19,20,21).
What are the key properties of 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid?
2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 164944218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).