3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine

C20H22F2N8O — CID 155365410

IUPAC3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(OC(F)F)CC1)nn2C
InChIInChI=1S/C20H22F2N8O/c1-11-7-16-24-10-25-30(16)9-14(11)26-20-23-8-15-18(27-20)17(28-29(15)2)12-3-5-13(6-4-12)31-19(21)22/h7-10,12-13,19H,3-6H2,1-2H3,(H,23,26,27)
InChIKeyBFPLZZPWKWGNTE-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.72
Rot. Bonds5

About 3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine

3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine (PubChem CID 155365410) has the molecular formula C20H22F2N8O and a molecular weight of 428.45 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine
PubChem CID155365410
Molecular FormulaC20H22F2N8O
Molecular Weight428.45 g/mol
Exact Mass428.19
IUPAC Name3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(OC(F)F)CC1)nn2C
InChIInChI=1S/C20H22F2N8O/c1-11-7-16-24-10-25-30(16)9-14(11)26-20-23-8-15-18(27-20)17(28-29(15)2)12-3-5-13(6-4-12)31-19(21)22/h7-10,12-13,19H,3-6H2,1-2H3,(H,23,26,27)
InChIKeyBFPLZZPWKWGNTE-UHFFFAOYSA-N
XLogP3.72
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine?
The IUPAC name of 3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine (CID 155365410) is 3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine is Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(OC(F)F)CC1)nn2C.
What is the InChIKey of 3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine?
The InChIKey is BFPLZZPWKWGNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N8O/c1-11-7-16-24-10-25-30(16)9-14(11)26-20-23-8-15-18(27-20)17(28-29(15)2)12-3-5-13(6-4-12)31-19(21)22/h7-10,12-13,19H,3-6H2,1-2H3,(H,23,26,27).
What are the key properties of 3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine?
3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine has a molecular weight of 428.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 155365410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).