1-[2-chloro-7-[cyclopropyl(methoxy)methyl]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

C21H20ClFN6O2 — CID 176510938

IUPAC1-[2-chloro-7-[cyclopropyl(methoxy)methyl]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
SMILESCOC(c1c(CC(=O)Cc2cc(F)c3nc(C)nn3c2)cnc2cc(Cl)nn12)C1CC1
InChIInChI=1S/C21H20ClFN6O2/c1-11-25-21-16(23)6-12(10-28(21)26-11)5-15(30)7-14-9-24-18-8-17(22)27-29(18)19(14)20(31-2)13-3-4-13/h6,8-10,13,20H,3-5,7H2,1-2H3
InChIKeyJKNOFJACMBYSOG-UHFFFAOYSA-N
MW442.88 g/mol
LogP3.32
Rot. Bonds7

About 1-[2-chloro-7-[cyclopropyl(methoxy)methyl]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-[cyclopropyl(methoxy)methyl]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 176510938) has the molecular formula C21H20ClFN6O2 and a molecular weight of 442.88 g/mol. Its IUPAC name is 1-[2-chloro-7-[cyclopropyl(methoxy)methyl]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-[cyclopropyl(methoxy)methyl]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 CID176510938
Molecular FormulaC21H20ClFN6O2
Molecular Weight442.88 g/mol
Exact Mass442.13
IUPAC Name1-[2-chloro-7-[cyclopropyl(methoxy)methyl]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
SMILESCOC(c1c(CC(=O)Cc2cc(F)c3nc(C)nn3c2)cnc2cc(Cl)nn12)C1CC1
InChIInChI=1S/C21H20ClFN6O2/c1-11-25-21-16(23)6-12(10-28(21)26-11)5-15(30)7-14-9-24-18-8-17(22)27-29(18)19(14)20(31-2)13-3-4-13/h6,8-10,13,20H,3-5,7H2,1-2H3
InChIKeyJKNOFJACMBYSOG-UHFFFAOYSA-N
XLogP3.32
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2-chloro-7-[cyclopropyl(methoxy)methyl]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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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-[cyclopropyl(methoxy)methyl]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-[cyclopropyl(methoxy)methyl]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 176510938) is 1-[2-chloro-7-[cyclopropyl(methoxy)methyl]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-[cyclopropyl(methoxy)methyl]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-[cyclopropyl(methoxy)methyl]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 COC(c1c(CC(=O)Cc2cc(F)c3nc(C)nn3c2)cnc2cc(Cl)nn12)C1CC1.
What is the InChIKey of 1-[2-chloro-7-[cyclopropyl(methoxy)methyl]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 JKNOFJACMBYSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN6O2/c1-11-25-21-16(23)6-12(10-28(21)26-11)5-15(30)7-14-9-24-18-8-17(22)27-29(18)19(14)20(31-2)13-3-4-13/h6,8-10,13,20H,3-5,7H2,1-2H3.
What are the key properties of 1-[2-chloro-7-[cyclopropyl(methoxy)methyl]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-[cyclopropyl(methoxy)methyl]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 442.88 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-[cyclopropyl(methoxy)methyl]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 176510938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).