2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H15FN8O — CID 90199651

IUPAC2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)n1C
InChIInChI=1S/C17H15FN8O/c1-9-21-7-13(25(9)2)11-3-4-20-6-12(11)23-17(27)14-15(19)24-26-8-10(18)5-22-16(14)26/h3-8H,1-2H3,(H2,19,24)(H,23,27)
InChIKeyWYCWBOQMBPRGID-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199651) has the molecular formula C17H15FN8O and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199651
Molecular FormulaC17H15FN8O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)n1C
InChIInChI=1S/C17H15FN8O/c1-9-21-7-13(25(9)2)11-3-4-20-6-12(11)23-17(27)14-15(19)24-26-8-10(18)5-22-16(14)26/h3-8H,1-2H3,(H2,19,24)(H,23,27)
InChIKeyWYCWBOQMBPRGID-UHFFFAOYSA-N
XLogP1.81
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-6-fluoro-N-[4-(2-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199118
2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199457
2-amino-6-fluoro-N-[4-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200159
2-amino-6-fluoro-N-[4-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199887
2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118570035
2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200011
2-amino-6-fluoro-N-[4-[1-(1-hydroxyethyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340082
2-amino-N-[4-(1,1-dioxothian-4-yl)oxy-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199105
2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199894
2-amino-6-fluoro-N-[4-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199450
2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199599
2-amino-6-fluoro-N-(5-methoxy-4-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90379972

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199651) is 2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncc(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)n1C.
What is the InChIKey of 2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WYCWBOQMBPRGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN8O/c1-9-21-7-13(25(9)2)11-3-4-20-6-12(11)23-17(27)14-15(19)24-26-8-10(18)5-22-16(14)26/h3-8H,1-2H3,(H2,19,24)(H,23,27).
What are the key properties of 2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).