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

C17H15FN8O — CID 90199420

IUPAC2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncn(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)c1C
InChIInChI=1S/C17H15FN8O/c1-9-10(2)25(8-22-9)13-3-4-20-6-12(13)23-17(27)14-15(19)24-26-7-11(18)5-21-16(14)26/h3-8H,1-2H3,(H2,19,24)(H,23,27)
InChIKeyXTNGYFCPZCJQJR-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.90
Rot. Bonds3

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

2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199420) has the molecular formula C17H15FN8O and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199420
Molecular FormulaC17H15FN8O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncn(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)c1C
InChIInChI=1S/C17H15FN8O/c1-9-10(2)25(8-22-9)13-3-4-20-6-12(13)23-17(27)14-15(19)24-26-7-11(18)5-21-16(14)26/h3-8H,1-2H3,(H2,19,24)(H,23,27)
InChIKeyXTNGYFCPZCJQJR-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199420) is 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncn(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)c1C.
What is the InChIKey of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XTNGYFCPZCJQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN8O/c1-9-10(2)25(8-22-9)13-3-4-20-6-12(13)23-17(27)14-15(19)24-26-7-11(18)5-21-16(14)26/h3-8H,1-2H3,(H2,19,24)(H,23,27).
What are the key properties of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 1.90, 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-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).