N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide

C25H35N7O2 — CID 145493456

About N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide

N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide (PubChem CID 145493456) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide.

Molecular Properties

• Compound Name: N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide
• PubChem CID: 145493456
• Molecular Formula: C25H35N7O2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.29
• IUPAC Name: N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide
• SMILES: CC1CN2CCCC2CN1C(=O)N1Cc2c(NC(=O)C3=CC=NC4CCC3C4)n[nH]c2C1(C)C
• InChI: InChI=1S/C25H35N7O2/c1-15-12-30-10-4-5-18(30)13-31(15)24(34)32-14-20-21(25(32,2)3)28-29-22(20)27-23(33)19-8-9-26-17-7-6-16(19)11-17/h8-9,15-18H,4-7,10-14H2,1-3H3,(H2,27,28,29,33)
• InChIKey: SWRPJSNSZXKEHB-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 96.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide?

The IUPAC name of N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide (CID 145493456) is N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide.

What is the SMILES notation for N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide?

The canonical SMILES for N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide is CC1CN2CCCC2CN1C(=O)N1Cc2c(NC(=O)C3=CC=NC4CCC3C4)n[nH]c2C1(C)C.

What is the InChIKey of N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide?

The InChIKey is SWRPJSNSZXKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-15-12-30-10-4-5-18(30)13-31(15)24(34)32-14-20-21(25(32,2)3)28-29-22(20)27-23(33)19-8-9-26-17-7-6-16(19)11-17/h8-9,15-18H,4-7,10-14H2,1-3H3,(H2,27,28,29,33).

What are the key properties of N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide?

N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 2.87, 2 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-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide is sourced from PubChem (CID 145493456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).