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

C16H10F4N8O — CID 90199693

IUPAC2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-n1ccnc1C(F)(F)F
InChIInChI=1S/C16H10F4N8O/c17-8-5-24-13-11(12(21)26-28(13)7-8)14(29)25-9-6-22-2-1-10(9)27-4-3-23-15(27)16(18,19)20/h1-7H,(H2,21,26)(H,25,29)
InChIKeyJVCIKFSTIQUJJB-UHFFFAOYSA-N
MW406.30 g/mol
LogP2.30
Rot. Bonds3

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

2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199693) has the molecular formula C16H10F4N8O and a molecular weight of 406.30 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199693
Molecular FormulaC16H10F4N8O
Molecular Weight406.30 g/mol
Exact Mass406.09
IUPAC Name2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-n1ccnc1C(F)(F)F
InChIInChI=1S/C16H10F4N8O/c17-8-5-24-13-11(12(21)26-28(13)7-8)14(29)25-9-6-22-2-1-10(9)27-4-3-23-15(27)16(18,19)20/h1-7H,(H2,21,26)(H,25,29)
InChIKeyJVCIKFSTIQUJJB-UHFFFAOYSA-N
XLogP2.30
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199693) is 2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-n1ccnc1C(F)(F)F.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JVCIKFSTIQUJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N8O/c17-8-5-24-13-11(12(21)26-28(13)7-8)14(29)25-9-6-22-2-1-10(9)27-4-3-23-15(27)16(18,19)20/h1-7H,(H2,21,26)(H,25,29).
What are the key properties of 2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 406.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).