1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one

C19H16ClFN6O — CID 176510919

IUPAC1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
SMILESCc1nc2c(F)cc(CC(=O)Cc3cnc4cc(Cl)nn4c3C3CC3)cn2n1
InChIInChI=1S/C19H16ClFN6O/c1-10-23-19-15(21)5-11(9-26(19)24-10)4-14(28)6-13-8-22-17-7-16(20)25-27(17)18(13)12-2-3-12/h5,7-9,12H,2-4,6H2,1H3
InChIKeyZAWXFKJJWSCIOX-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.10
Rot. Bonds5

About 1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one

1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one (PubChem CID 176510919) has the molecular formula C19H16ClFN6O and a molecular weight of 398.83 g/mol. Its IUPAC name is 1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
PubChem CID176510919
Molecular FormulaC19H16ClFN6O
Molecular Weight398.83 g/mol
Exact Mass398.11
IUPAC Name1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
SMILESCc1nc2c(F)cc(CC(=O)Cc3cnc4cc(Cl)nn4c3C3CC3)cn2n1
InChIInChI=1S/C19H16ClFN6O/c1-10-23-19-15(21)5-11(9-26(19)24-10)4-14(28)6-13-8-22-17-7-16(20)25-27(17)18(13)12-2-3-12/h5,7-9,12H,2-4,6H2,1H3
InChIKeyZAWXFKJJWSCIOX-UHFFFAOYSA-N
XLogP3.10
TPSA77.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
The IUPAC name of 1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one (CID 176510919) is 1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
The canonical SMILES for 1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one is Cc1nc2c(F)cc(CC(=O)Cc3cnc4cc(Cl)nn4c3C3CC3)cn2n1.
What is the InChIKey of 1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
The InChIKey is ZAWXFKJJWSCIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6O/c1-10-23-19-15(21)5-11(9-26(19)24-10)4-14(28)6-13-8-22-17-7-16(20)25-27(17)18(13)12-2-3-12/h5,7-9,12H,2-4,6H2,1H3.
What are the key properties of 1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one has a molecular weight of 398.83 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-7-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one is sourced from PubChem (CID 176510919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).