3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C26H26N6O2 — CID 177114728

About 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 177114728) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 177114728
• Molecular Formula: C26H26N6O2
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.21
• IUPAC Name: 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• SMILES: Cc1cccc(C2(Nc3ncc4n(c3=O)C(C(=O)NCc3cc5cnccc5[nH]3)CC4)CC2)c1
• InChI: InChI=1S/C26H26N6O2/c1-16-3-2-4-18(11-16)26(8-9-26)31-23-25(34)32-20(15-28-23)5-6-22(32)24(33)29-14-19-12-17-13-27-10-7-21(17)30-19/h2-4,7,10-13,15,22,30H,5-6,8-9,14H2,1H3,(H,28,31)(H,29,33)
• InChIKey: BCJQIBPCRZCGER-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 104.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 177114728) is 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1cccc(C2(Nc3ncc4n(c3=O)C(C(=O)NCc3cc5cnccc5[nH]3)CC4)CC2)c1.

What is the InChIKey of 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is BCJQIBPCRZCGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-16-3-2-4-18(11-16)26(8-9-26)31-23-25(34)32-20(15-28-23)5-6-22(32)24(33)29-14-19-12-17-13-27-10-7-21(17)30-19/h2-4,7,10-13,15,22,30H,5-6,8-9,14H2,1H3,(H,28,31)(H,29,33).

What are the key properties of 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 177114728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).