N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide

C79H73N19O4S — CID 159073835

IUPACN-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide
SMILESNc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4o3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4s3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3ccc4ccccc4n3)cc1)nn2C1CCCC1
InChIInChI=1S/C27H25N7O.C26H24N6O2.C26H24N6OS/c28-25-23-24(33-34(20-6-2-3-7-20)26(23)31-16-30-25)19-11-9-17(10-12-19)15-29-27(35)22-14-13-18-5-1-4-8-21(18)32-22;2*27-24-22-23(31-32(19-6-2-3-7-19)25(22)30-15-29-24)17-11-9-16(10-12-17)14-28-26(33)21-13-18-5-1-4-8-20(18)34-21/h1,4-5,8-14,16,20H,2-3,6-7,15H2,(H,29,35)(H2,28,30,31);2*1,4-5,8-13,15,19H,2-3,6-7,14H2,(H,28,33)(H2,27,29,30)
InChIKeyJZZQBGRUKSPOLE-UHFFFAOYSA-N
MW1384.65 g/mol
LogP14.87
Rot. Bonds15

About N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide

N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide (PubChem CID 159073835) has the molecular formula C79H73N19O4S and a molecular weight of 1384.65 g/mol. Its IUPAC name is N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide
PubChem CID159073835
Molecular FormulaC79H73N19O4S
Molecular Weight1384.65 g/mol
Exact Mass1383.58
IUPAC NameN-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide
SMILESNc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4o3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4s3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3ccc4ccccc4n3)cc1)nn2C1CCCC1
InChIInChI=1S/C27H25N7O.C26H24N6O2.C26H24N6OS/c28-25-23-24(33-34(20-6-2-3-7-20)26(23)31-16-30-25)19-11-9-17(10-12-19)15-29-27(35)22-14-13-18-5-1-4-8-21(18)32-22;2*27-24-22-23(31-32(19-6-2-3-7-19)25(22)30-15-29-24)17-11-9-16(10-12-17)14-28-26(33)21-13-18-5-1-4-8-20(18)34-21/h1,4-5,8-14,16,20H,2-3,6-7,15H2,(H,29,35)(H2,28,30,31);2*1,4-5,8-13,15,19H,2-3,6-7,14H2,(H,28,33)(H2,27,29,30)
InChIKeyJZZQBGRUKSPOLE-UHFFFAOYSA-N
XLogP14.87
TPSA322.19 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001384.65
LogP ≤ 514.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide with MolForge

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Related Compounds

N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide
CID 158632288
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3-methylnaphthalene-2-carboxamide
CID 147791738
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-fluorobenzamide
CID 126717856
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-ethoxybenzamide
CID 126717887
N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]naphthalene-1-carboxamide
CID 126718114
N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide
CID 126717922
N-[[4-[4-amino-1-(3-hydroxycyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide
CID 126717902
N-[[4-[4-amino-1-(3-hydroxycyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide
CID 126717890
N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-pyridinyl]methyl]-2-methylbenzamide
CID 157350956
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide
CID 126718056
N-[[4-[4-amino-1-(4-oxocyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 126717870
N-[[4-[4-amino-1-(1-propanoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide
CID 129118291

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide (CID 159073835) is N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide is Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4o3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4s3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3ccc4ccccc4n3)cc1)nn2C1CCCC1.
What is the InChIKey of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide?
The InChIKey is JZZQBGRUKSPOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O.C26H24N6O2.C26H24N6OS/c28-25-23-24(33-34(20-6-2-3-7-20)26(23)31-16-30-25)19-11-9-17(10-12-19)15-29-27(35)22-14-13-18-5-1-4-8-21(18)32-22;2*27-24-22-23(31-32(19-6-2-3-7-19)25(22)30-15-29-24)17-11-9-16(10-12-17)14-28-26(33)21-13-18-5-1-4-8-20(18)34-21/h1,4-5,8-14,16,20H,2-3,6-7,15H2,(H,29,35)(H2,28,30,31);2*1,4-5,8-13,15,19H,2-3,6-7,14H2,(H,28,33)(H2,27,29,30).
What are the key properties of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide?
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide has a molecular weight of 1384.65 g/mol, XLogP of 14.87, 15 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 159073835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).