6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide

C27H28N6O — CID 153252521

IUPAC6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCc1nc(NC2=NCC3=C2CN(C(=O)NC2C[C@H]2c2ccccc2)C3(C)C)c2ccccc2n1
InChIInChI=1S/C27H28N6O/c1-16-29-22-12-8-7-11-18(22)25(30-16)32-24-20-15-33(27(2,3)21(20)14-28-24)26(34)31-23-13-19(23)17-9-5-4-6-10-17/h4-12,19,23H,13-15H2,1-3H3,(H,31,34)(H,28,29,30,32)/t19-,23?/m0/s1
InChIKeyWTPQCQMSOMQWGQ-HSTJUUNISA-N
MW452.56 g/mol
LogP4.42
Rot. Bonds3

About 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide

6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 153252521) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID153252521
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCc1nc(NC2=NCC3=C2CN(C(=O)NC2C[C@H]2c2ccccc2)C3(C)C)c2ccccc2n1
InChIInChI=1S/C27H28N6O/c1-16-29-22-12-8-7-11-18(22)25(30-16)32-24-20-15-33(27(2,3)21(20)14-28-24)26(34)31-23-13-19(23)17-9-5-4-6-10-17/h4-12,19,23H,13-15H2,1-3H3,(H,31,34)(H,28,29,30,32)/t19-,23?/m0/s1
InChIKeyWTPQCQMSOMQWGQ-HSTJUUNISA-N
XLogP4.42
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide with MolForge

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Related Compounds

6,6-dimethyl-3-[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-(2-phenylcyclopropyl)-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 159394443
3-[(5-fluoro-2-methoxypyrimidin-4-yl)amino]-6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 148739565
3-[[4-[(2S)-2-carbamoylpyrrolidin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-6,6-dimethyl-N-(2-phenylcyclopropyl)-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 159115347
6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 67008683
3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 59474237
6,6-dimethyl-N-(2-phenylcyclopropyl)-3-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 67008759
3-[(5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 59474172
3-[[4-methoxy-6-(2-methylaziridin-1-yl)-1,3,5-triazin-2-yl]amino]-6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 87536068
6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide
CID 59474193
6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-3-(thiophene-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 58015706
N-(2-methylquinazolin-4-yl)acetamide
CID 13329017
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 153252521) is 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide is Cc1nc(NC2=NCC3=C2CN(C(=O)NC2C[C@H]2c2ccccc2)C3(C)C)c2ccccc2n1.
What is the InChIKey of 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is WTPQCQMSOMQWGQ-HSTJUUNISA-N. The full InChI is InChI=1S/C27H28N6O/c1-16-29-22-12-8-7-11-18(22)25(30-16)32-24-20-15-33(27(2,3)21(20)14-28-24)26(34)31-23-13-19(23)17-9-5-4-6-10-17/h4-12,19,23H,13-15H2,1-3H3,(H,31,34)(H,28,29,30,32)/t19-,23?/m0/s1.
What are the key properties of 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide?
6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 153252521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).