N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C24H30N10O — CID 59474202

IUPACN-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4c3ncn4C)n[nH]c2C1(C)C)c1ccccc1
InChIInChI=1S/C24H30N10O/c1-24(2)19-16(20(31-30-19)29-21-18-22(26-13-25-21)33(5)14-27-18)11-34(24)23(35)28-17(12-32(3)4)15-9-7-6-8-10-15/h6-10,13-14,17H,11-12H2,1-5H3,(H,28,35)(H2,25,26,29,30,31)/t17-/m1/s1
InChIKeyFFZVTVDOHCMWOO-QGZVFWFLSA-N
MW474.57 g/mol
LogP2.89
Rot. Bonds6

About N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 59474202) has the molecular formula C24H30N10O and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID59474202
Molecular FormulaC24H30N10O
Molecular Weight474.57 g/mol
Exact Mass474.26
IUPAC NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4c3ncn4C)n[nH]c2C1(C)C)c1ccccc1
InChIInChI=1S/C24H30N10O/c1-24(2)19-16(20(31-30-19)29-21-18-22(26-13-25-21)33(5)14-27-18)11-34(24)23(35)28-17(12-32(3)4)15-9-7-6-8-10-15/h6-10,13-14,17H,11-12H2,1-5H3,(H,28,35)(H2,25,26,29,30,31)/t17-/m1/s1
InChIKeyFFZVTVDOHCMWOO-QGZVFWFLSA-N
XLogP2.89
TPSA119.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

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CID 138105936
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7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
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CID 62706315
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methylimidazol-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706316
7-Fluoro-4-(7-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-1,4-dihydropyrazolo[4,3-b]indole
CID 73425712
4-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-7-fluoro-1H-pyrazolo[4,5-b]indole
CID 73426346
N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
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US11111247, Example 9
CID 146448849
1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea
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CID 152300260

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 59474202) is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4c3ncn4C)n[nH]c2C1(C)C)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is FFZVTVDOHCMWOO-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30N10O/c1-24(2)19-16(20(31-30-19)29-21-18-22(26-13-25-21)33(5)14-27-18)11-34(24)23(35)28-17(12-32(3)4)15-9-7-6-8-10-15/h6-10,13-14,17H,11-12H2,1-5H3,(H,28,35)(H2,25,26,29,30,31)/t17-/m1/s1.
What are the key properties of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(9-methylpurin-6-yl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 59474202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).