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

C20H20ClFN6O2 — CID 176510941

IUPAC1-[2-chloro-7-(1-methoxypropyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
SMILESCCC(OC)c1c(CC(=O)Cc2cc(F)c3nc(C)nn3c2)cnc2cc(Cl)nn12
InChIInChI=1S/C20H20ClFN6O2/c1-4-16(30-3)19-13(9-23-18-8-17(21)26-28(18)19)7-14(29)5-12-6-15(22)20-24-11(2)25-27(20)10-12/h6,8-10,16H,4-5,7H2,1-3H3
InChIKeyLQEMOBNLKTYONK-UHFFFAOYSA-N
MW430.87 g/mol
LogP3.32
Rot. Bonds7

About 1-[2-chloro-7-(1-methoxypropyl)pyrazolo[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-(1-methoxypropyl)pyrazolo[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 176510941) has the molecular formula C20H20ClFN6O2 and a molecular weight of 430.87 g/mol. Its IUPAC name is 1-[2-chloro-7-(1-methoxypropyl)pyrazolo[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-(1-methoxypropyl)pyrazolo[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 CID176510941
Molecular FormulaC20H20ClFN6O2
Molecular Weight430.87 g/mol
Exact Mass430.13
IUPAC Name1-[2-chloro-7-(1-methoxypropyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
SMILESCCC(OC)c1c(CC(=O)Cc2cc(F)c3nc(C)nn3c2)cnc2cc(Cl)nn12
InChIInChI=1S/C20H20ClFN6O2/c1-4-16(30-3)19-13(9-23-18-8-17(21)26-28(18)19)7-14(29)5-12-6-15(22)20-24-11(2)25-27(20)10-12/h6,8-10,16H,4-5,7H2,1-3H3
InChIKeyLQEMOBNLKTYONK-UHFFFAOYSA-N
XLogP3.32
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-(1-methoxypropyl)pyrazolo[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-(1-methoxypropyl)pyrazolo[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 176510941) is 1-[2-chloro-7-(1-methoxypropyl)pyrazolo[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-(1-methoxypropyl)pyrazolo[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-(1-methoxypropyl)pyrazolo[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 CCC(OC)c1c(CC(=O)Cc2cc(F)c3nc(C)nn3c2)cnc2cc(Cl)nn12.
What is the InChIKey of 1-[2-chloro-7-(1-methoxypropyl)pyrazolo[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 LQEMOBNLKTYONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN6O2/c1-4-16(30-3)19-13(9-23-18-8-17(21)26-28(18)19)7-14(29)5-12-6-15(22)20-24-11(2)25-27(20)10-12/h6,8-10,16H,4-5,7H2,1-3H3.
What are the key properties of 1-[2-chloro-7-(1-methoxypropyl)pyrazolo[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-(1-methoxypropyl)pyrazolo[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 430.87 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-(1-methoxypropyl)pyrazolo[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 176510941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).