1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine

C20H21F2N7 — CID 155365263

IUPAC1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C20H21F2N7/c1-12-9-17-23-7-8-28(17)11-16(12)25-19-24-10-15-13(2)27-29(18(15)26-19)14-3-5-20(21,22)6-4-14/h7-11,14H,3-6H2,1-2H3,(H,24,25,26)
InChIKeyBRZRSHXUYLDGRW-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.58
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine

1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 155365263) has the molecular formula C20H21F2N7 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID155365263
Molecular FormulaC20H21F2N7
Molecular Weight397.43 g/mol
Exact Mass397.18
IUPAC Name1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C20H21F2N7/c1-12-9-17-23-7-8-28(17)11-16(12)25-19-24-10-15-13(2)27-29(18(15)26-19)14-3-5-20(21,22)6-4-14/h7-11,14H,3-6H2,1-2H3,(H,24,25,26)
InChIKeyBRZRSHXUYLDGRW-UHFFFAOYSA-N
XLogP4.58
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 155365263) is 1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine is Cc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCC(F)(F)CC3)c2n1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is BRZRSHXUYLDGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7/c1-12-9-17-23-7-8-28(17)11-16(12)25-19-24-10-15-13(2)27-29(18(15)26-19)14-3-5-20(21,22)6-4-14/h7-11,14H,3-6H2,1-2H3,(H,24,25,26).
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 397.43 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 155365263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).