4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide

C24H26N6O2 — CID 177445381

IUPAC4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-n2ncc3c(NCc4ccccc4)nc(C(=O)NCC(C)C)nc32)cc1
InChIInChI=1S/C24H26N6O2/c1-16(2)13-26-24(31)22-28-21(25-14-17-7-5-4-6-8-17)20-15-27-30(23(20)29-22)18-9-11-19(32-3)12-10-18/h4-12,15-16H,13-14H2,1-3H3,(H,26,31)(H,25,28,29)
InChIKeyVMAGJMBDIGMKJR-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.82
Rot. Bonds8

About 4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide

4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 177445381) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID177445381
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-n2ncc3c(NCc4ccccc4)nc(C(=O)NCC(C)C)nc32)cc1
InChIInChI=1S/C24H26N6O2/c1-16(2)13-26-24(31)22-28-21(25-14-17-7-5-4-6-8-17)20-15-27-30(23(20)29-22)18-9-11-19(32-3)12-10-18/h4-12,15-16H,13-14H2,1-3H3,(H,26,31)(H,25,28,29)
InChIKeyVMAGJMBDIGMKJR-UHFFFAOYSA-N
XLogP3.82
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzylamino)-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 177387456
4-N-benzyl-6-N-(2-methoxyethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 18567044
N-benzyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433640
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
(2S)-1-[[4-(3-methoxyanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-2-ol
CID 35675034
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 110372681
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
N-[2-[(6-butan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-3-methylbutanamide
CID 42673960
5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide
CID 41091338
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
1-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432065

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide (CID 177445381) is 4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide is COc1ccc(-n2ncc3c(NCc4ccccc4)nc(C(=O)NCC(C)C)nc32)cc1.
What is the InChIKey of 4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is VMAGJMBDIGMKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16(2)13-26-24(31)22-28-21(25-14-17-7-5-4-6-8-17)20-15-27-30(23(20)29-22)18-9-11-19(32-3)12-10-18/h4-12,15-16H,13-14H2,1-3H3,(H,26,31)(H,25,28,29).
What are the key properties of 4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide?
4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 177445381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).