N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane

C23H35N7O2 — CID 91970554

About N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane

N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane (PubChem CID 91970554) has the molecular formula C23H35N7O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane.

Molecular Properties

• Compound Name: N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane
• PubChem CID: 91970554
• Molecular Formula: C23H35N7O2
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.29
• IUPAC Name: N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane
• SMILES: C.CCCN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)C1
• InChI: InChI=1S/C22H31N7O2.CH4/c1-5-10-27-11-12-28(15(2)13-27)21(31)29-14-16-18(22(29,3)4)25-26-19(16)24-20(30)17-8-6-7-9-23-17;/h6-9,15H,5,10-14H2,1-4H3,(H2,24,25,26,30);1H4/t15-;/m0./s1
• InChIKey: CBVPAVOICMHCPW-RSAXXLAASA-N
• XLogP: 3.28
• TPSA: 97.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?

The IUPAC name of N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane (CID 91970554) is N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane.

What is the SMILES notation for N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?

The canonical SMILES for N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane is C.CCCN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)C1.

What is the InChIKey of N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?

The InChIKey is CBVPAVOICMHCPW-RSAXXLAASA-N. The full InChI is InChI=1S/C22H31N7O2.CH4/c1-5-10-27-11-12-28(15(2)13-27)21(31)29-14-16-18(22(29,3)4)25-26-19(16)24-20(30)17-8-6-7-9-23-17;/h6-9,15H,5,10-14H2,1-4H3,(H2,24,25,26,30);1H4/t15-;/m0./s1.

What are the key properties of N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?

N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane has a molecular weight of 441.58 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6,6-dimethyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane is sourced from PubChem (CID 91970554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).