7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H17N5O2 — CID 127041241

IUPAC7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCNC(=O)c1cnc2c(C)cnn2c1Nc1cccc(OC)c1
InChIInChI=1S/C16H17N5O2/c1-10-8-19-21-14(10)18-9-13(16(22)17-2)15(21)20-11-5-4-6-12(7-11)23-3/h4-9,20H,1-3H3,(H,17,22)
InChIKeyXVTNIVUTUTUQJM-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.15
Rot. Bonds4

About 7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 127041241) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID127041241
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCNC(=O)c1cnc2c(C)cnn2c1Nc1cccc(OC)c1
InChIInChI=1S/C16H17N5O2/c1-10-8-19-21-14(10)18-9-13(16(22)17-2)15(21)20-11-5-4-6-12(7-11)23-3/h4-9,20H,1-3H3,(H,17,22)
InChIKeyXVTNIVUTUTUQJM-UHFFFAOYSA-N
XLogP2.15
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Repotrectinib
CID 135565923
N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449661
N-(3-methoxyphenyl)-1-methyl-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456450
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
7-[(2-Amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16743447
6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137348687
Sdccggsk-0000007.P001
CID 9604943
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449776
7-(difluoromethyl)-N-(2-methoxybenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975142
7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4197086
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10c
CID 25138153

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 127041241) is 7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CNC(=O)c1cnc2c(C)cnn2c1Nc1cccc(OC)c1.
What is the InChIKey of 7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XVTNIVUTUTUQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-8-19-21-14(10)18-9-13(16(22)17-2)15(21)20-11-5-4-6-12(7-11)23-3/h4-9,20H,1-3H3,(H,17,22).
What are the key properties of 7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyanilino)-N,3-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 127041241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).