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

C22H21N7O — CID 155365190

IUPAC1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOc1ccc(Cn2nc(C)c3cnc(Nc4cn5ccnc5cc4C)nc32)cc1
InChIInChI=1S/C22H21N7O/c1-14-10-20-23-8-9-28(20)13-19(14)25-22-24-11-18-15(2)27-29(21(18)26-22)12-16-4-6-17(30-3)7-5-16/h4-11,13H,12H2,1-3H3,(H,24,25,26)
InChIKeyXPJFFEVKZWYJEI-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.89
Rot. Bonds5

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

1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 155365190) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID155365190
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOc1ccc(Cn2nc(C)c3cnc(Nc4cn5ccnc5cc4C)nc32)cc1
InChIInChI=1S/C22H21N7O/c1-14-10-20-23-8-9-28(20)13-19(14)25-22-24-11-18-15(2)27-29(21(18)26-22)12-16-4-6-17(30-3)7-5-16/h4-11,13H,12H2,1-3H3,(H,24,25,26)
InChIKeyXPJFFEVKZWYJEI-UHFFFAOYSA-N
XLogP3.89
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 155365190) is 1-[(4-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine is COc1ccc(Cn2nc(C)c3cnc(Nc4cn5ccnc5cc4C)nc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is XPJFFEVKZWYJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-14-10-20-23-8-9-28(20)13-19(14)25-22-24-11-18-15(2)27-29(21(18)26-22)12-16-4-6-17(30-3)7-5-16/h4-11,13H,12H2,1-3H3,(H,24,25,26).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 399.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 155365190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).