3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C23H27N7O — CID 59474237

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 59474237) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• PubChem CID: 59474237
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• SMILES: Cc1cc(C)nc(Nc2n[nH]c3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)n1
• InChI: InChI=1S/C23H27N7O/c1-13-10-14(2)25-21(24-13)27-20-17-12-30(23(3,4)19(17)28-29-20)22(31)26-18-11-16(18)15-8-6-5-7-9-15/h5-10,16,18H,11-12H2,1-4H3,(H,26,31)(H2,24,25,27,28,29)/t16-,18?/m1/s1
• InChIKey: HLSIURZZWQUMHC-PYUWXLGESA-N
• XLogP: 3.88
• TPSA: 98.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The IUPAC name of 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) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is Cc1cc(C)nc(Nc2n[nH]c3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)n1.

What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The InChIKey is HLSIURZZWQUMHC-PYUWXLGESA-N. The full InChI is InChI=1S/C23H27N7O/c1-13-10-14(2)25-21(24-13)27-20-17-12-30(23(3,4)19(17)28-29-20)22(31)26-18-11-16(18)15-8-6-5-7-9-15/h5-10,16,18H,11-12H2,1-4H3,(H,26,31)(H2,24,25,27,28,29)/t16-,18?/m1/s1.

What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-6,6-dimethyl-N-[(2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 59474237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).