2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H12FN7O — CID 86721026

IUPAC2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)c3c(N)nn4cc(F)cnc34)cncc21
InChIInChI=1S/C15H12FN7O/c1-22-3-2-9-10(5-18-6-11(9)22)20-15(24)12-13(17)21-23-7-8(16)4-19-14(12)23/h2-7H,1H3,(H2,17,21)(H,20,24)
InChIKeyVADZSKFKFXADRW-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.59
Rot. Bonds2

About 2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86721026) has the molecular formula C15H12FN7O and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86721026
Molecular FormulaC15H12FN7O
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC Name2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)c3c(N)nn4cc(F)cnc34)cncc21
InChIInChI=1S/C15H12FN7O/c1-22-3-2-9-10(5-18-6-11(9)22)20-15(24)12-13(17)21-23-7-8(16)4-19-14(12)23/h2-7H,1H3,(H2,17,21)(H,20,24)
InChIKeyVADZSKFKFXADRW-UHFFFAOYSA-N
XLogP1.59
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86721026) is 2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1ccc2c(NC(=O)c3c(N)nn4cc(F)cnc34)cncc21.
What is the InChIKey of 2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VADZSKFKFXADRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN7O/c1-22-3-2-9-10(5-18-6-11(9)22)20-15(24)12-13(17)21-23-7-8(16)4-19-14(12)23/h2-7H,1H3,(H2,17,21)(H,20,24).
What are the key properties of 2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 325.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86721026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).