2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H15FN8O2 — CID 90199030

IUPAC2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cncn1C
InChIInChI=1S/C17H15FN8O2/c1-25-8-21-5-11(25)13-10(4-20-6-12(13)28-2)23-17(27)14-15(19)24-26-7-9(18)3-22-16(14)26/h3-8H,1-2H3,(H2,19,24)(H,23,27)
InChIKeyDDQVHIOTRCLXJG-UHFFFAOYSA-N
MW382.36 g/mol
LogP1.51
Rot. Bonds4

About 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199030) has the molecular formula C17H15FN8O2 and a molecular weight of 382.36 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199030
Molecular FormulaC17H15FN8O2
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Name2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cncn1C
InChIInChI=1S/C17H15FN8O2/c1-25-8-21-5-11(25)13-10(4-20-6-12(13)28-2)23-17(27)14-15(19)24-26-7-9(18)3-22-16(14)26/h3-8H,1-2H3,(H2,19,24)(H,23,27)
InChIKeyDDQVHIOTRCLXJG-UHFFFAOYSA-N
XLogP1.51
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199030) is 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cncn1C.
What is the InChIKey of 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DDQVHIOTRCLXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN8O2/c1-25-8-21-5-11(25)13-10(4-20-6-12(13)28-2)23-17(27)14-15(19)24-26-7-9(18)3-22-16(14)26/h3-8H,1-2H3,(H2,19,24)(H,23,27).
What are the key properties of 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 382.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).