6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C25H25N7O — CID 67008683

IUPAC6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC1(C)c2[nH]nc(Nc3ncnc4ccccc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C25H25N7O/c1-25(2)21-18(13-32(25)24(33)28-20-12-17(20)15-8-4-3-5-9-15)23(31-30-21)29-22-16-10-6-7-11-19(16)26-14-27-22/h3-11,14,17,20H,12-13H2,1-2H3,(H,28,33)(H2,26,27,29,30,31)/t17-,20+/m0/s1
InChIKeyWBNZBOKLVSLIMJ-FXAWDEMLSA-N
MW439.52 g/mol
LogP4.41
Rot. Bonds4

About 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 67008683) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID67008683
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC1(C)c2[nH]nc(Nc3ncnc4ccccc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C25H25N7O/c1-25(2)21-18(13-32(25)24(33)28-20-12-17(20)15-8-4-3-5-9-15)23(31-30-21)29-22-16-10-6-7-11-19(16)26-14-27-22/h3-11,14,17,20H,12-13H2,1-2H3,(H,28,33)(H2,26,27,29,30,31)/t17-,20+/m0/s1
InChIKeyWBNZBOKLVSLIMJ-FXAWDEMLSA-N
XLogP4.41
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

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-[(4,6-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
6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-3-(thiophene-2-carbonylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 58015706
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
6,6-dimethyl-3-[(2-methylquinazolin-4-yl)amino]-N-[(2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 153252521
1-[3-[(2-ethynylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-[(2R)-2-phenylcyclopropyl]ethanone
CID 88884014
4-[[6,6-dimethyl-5-[2-[(2R)-2-phenylcyclopropyl]acetyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]amino]pyrimidine-2-carbonitrile
CID 59474225
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
2-ethyl-2-(quinazolin-4-ylamino)butanoic acid
CID 79806959
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

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 67008683) is 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is CC1(C)c2[nH]nc(Nc3ncnc4ccccc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is WBNZBOKLVSLIMJ-FXAWDEMLSA-N. The full InChI is InChI=1S/C25H25N7O/c1-25(2)21-18(13-32(25)24(33)28-20-12-17(20)15-8-4-3-5-9-15)23(31-30-21)29-22-16-10-6-7-11-19(16)26-14-27-22/h3-11,14,17,20H,12-13H2,1-2H3,(H,28,33)(H2,26,27,29,30,31)/t17-,20+/m0/s1.
What are the key properties of 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]-3-(quinazolin-4-ylamino)-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 67008683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).