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

C16H14ClFN8O2 — CID 168993794

IUPAC1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCOCc1c(NC(=O)Nc2cc(F)c3nc(C)nn3c2)cnc2cc(Cl)nn12
InChIInChI=1S/C16H14ClFN8O2/c1-8-20-15-10(18)3-9(6-25(15)23-8)21-16(27)22-11-5-19-14-4-13(17)24-26(14)12(11)7-28-2/h3-6H,7H2,1-2H3,(H2,21,22,27)
InChIKeyQBDVMYWDFFCWQQ-UHFFFAOYSA-N
MW404.79 g/mol
LogP2.66
Rot. Bonds4

About 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 168993794) has the molecular formula C16H14ClFN8O2 and a molecular weight of 404.79 g/mol. Its IUPAC name is 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID168993794
Molecular FormulaC16H14ClFN8O2
Molecular Weight404.79 g/mol
Exact Mass404.09
IUPAC Name1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCOCc1c(NC(=O)Nc2cc(F)c3nc(C)nn3c2)cnc2cc(Cl)nn12
InChIInChI=1S/C16H14ClFN8O2/c1-8-20-15-10(18)3-9(6-25(15)23-8)21-16(27)22-11-5-19-14-4-13(17)24-26(14)12(11)7-28-2/h3-6H,7H2,1-2H3,(H2,21,22,27)
InChIKeyQBDVMYWDFFCWQQ-UHFFFAOYSA-N
XLogP2.66
TPSA110.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 168993794) is 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is COCc1c(NC(=O)Nc2cc(F)c3nc(C)nn3c2)cnc2cc(Cl)nn12.
What is the InChIKey of 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is QBDVMYWDFFCWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN8O2/c1-8-20-15-10(18)3-9(6-25(15)23-8)21-16(27)22-11-5-19-14-4-13(17)24-26(14)12(11)7-28-2/h3-6H,7H2,1-2H3,(H2,21,22,27).
What are the key properties of 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 404.79 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 168993794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).