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

C26H32N8O — CID 159394443

IUPAC6,6-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
SMILESCc1nc(NC2=NCC3=C2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C26H32N8O/c1-16-28-23(32-24(29-16)33-11-7-8-12-33)31-22-19-15-34(26(2,3)20(19)14-27-22)25(35)30-21-13-18(21)17-9-5-4-6-10-17/h4-6,9-10,18,21H,7-8,11-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32)
InChIKeyLMNMECHOPPQQGW-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.26
Rot. Bonds4

About 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

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 (PubChem CID 159394443) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,6-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
PubChem CID159394443
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name6,6-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
SMILESCc1nc(NC2=NCC3=C2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C26H32N8O/c1-16-28-23(32-24(29-16)33-11-7-8-12-33)31-22-19-15-34(26(2,3)20(19)14-27-22)25(35)30-21-13-18(21)17-9-5-4-6-10-17/h4-6,9-10,18,21H,7-8,11-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32)
InChIKeyLMNMECHOPPQQGW-UHFFFAOYSA-N
XLogP3.26
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 153252521
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-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 59474237
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
3-[[4-(2-cyanopyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]-6,6-dimethyl-N-(2-phenylcyclopropyl)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 90654068
N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
CID 23790831
6,6-dimethyl-N-(2-phenylcyclopropyl)-3-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 67008759
6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 67008683
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(NC2=NCC3=C2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(N2CCCC2)n1.
What is the InChIKey of 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?
The InChIKey is LMNMECHOPPQQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-16-28-23(32-24(29-16)33-11-7-8-12-33)31-22-19-15-34(26(2,3)20(19)14-27-22)25(35)30-21-13-18(21)17-9-5-4-6-10-17/h4-6,9-10,18,21H,7-8,11-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32).
What are the key properties of 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?
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 has a molecular weight of 472.60 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159394443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).