1-[2-chloro-7-(oxolan-2-yl)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

C20H18ClFN6O2 — CID 176510916

IUPAC1-[2-chloro-7-(oxolan-2-yl)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
SMILESCc1nc2c(F)cc(CC(=O)Cc3cnc4cc(Cl)nn4c3C3CCCO3)cn2n1
InChIInChI=1S/C20H18ClFN6O2/c1-11-24-20-15(22)6-12(10-27(20)25-11)5-14(29)7-13-9-23-18-8-17(21)26-28(18)19(13)16-3-2-4-30-16/h6,8-10,16H,2-5,7H2,1H3
InChIKeyPWDLYUDMBKYQBU-UHFFFAOYSA-N
MW428.86 g/mol
LogP3.08
Rot. Bonds5

About 1-[2-chloro-7-(oxolan-2-yl)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-(oxolan-2-yl)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 176510916) has the molecular formula C20H18ClFN6O2 and a molecular weight of 428.86 g/mol. Its IUPAC name is 1-[2-chloro-7-(oxolan-2-yl)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-(oxolan-2-yl)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 CID176510916
Molecular FormulaC20H18ClFN6O2
Molecular Weight428.86 g/mol
Exact Mass428.12
IUPAC Name1-[2-chloro-7-(oxolan-2-yl)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
SMILESCc1nc2c(F)cc(CC(=O)Cc3cnc4cc(Cl)nn4c3C3CCCO3)cn2n1
InChIInChI=1S/C20H18ClFN6O2/c1-11-24-20-15(22)6-12(10-27(20)25-11)5-14(29)7-13-9-23-18-8-17(21)26-28(18)19(13)16-3-2-4-30-16/h6,8-10,16H,2-5,7H2,1H3
InChIKeyPWDLYUDMBKYQBU-UHFFFAOYSA-N
XLogP3.08
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.86
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2-chloro-7-(oxolan-2-yl)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 with MolForge

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Related Compounds

1-[2-Chloro-7-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
CID 118540215
2-(5-Fluoro-2-pyridinyl)-6,6-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760275
2-(5-Fluoro-2-pyridinyl)-6,6-dimethyl-3-(2-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760334
US20250092066, Example 1
CID 176510905
US20250092066, Example 4
CID 176510908
US20250092066, Example 8
CID 176510912
US20250092066, Example 9
CID 176510913
US20250092066, Example 11
CID 176510915
US20250092066, Example 13
CID 176510917
US20250092066, Example 17
CID 176510921
US20250092066, Example 21
CID 176510925
US20250092066, Example 22
CID 176510926

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-(oxolan-2-yl)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-(oxolan-2-yl)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 176510916) is 1-[2-chloro-7-(oxolan-2-yl)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-(oxolan-2-yl)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-(oxolan-2-yl)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 Cc1nc2c(F)cc(CC(=O)Cc3cnc4cc(Cl)nn4c3C3CCCO3)cn2n1.
What is the InChIKey of 1-[2-chloro-7-(oxolan-2-yl)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 PWDLYUDMBKYQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN6O2/c1-11-24-20-15(22)6-12(10-27(20)25-11)5-14(29)7-13-9-23-18-8-17(21)26-28(18)19(13)16-3-2-4-30-16/h6,8-10,16H,2-5,7H2,1H3.
What are the key properties of 1-[2-chloro-7-(oxolan-2-yl)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-(oxolan-2-yl)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 428.86 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-(oxolan-2-yl)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 176510916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).