N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine

C30H35N7 — CID 138686815

About N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine

N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine (PubChem CID 138686815) has the molecular formula C30H35N7 and a molecular weight of 493.66 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine.

Molecular Properties

• Compound Name: N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine
• PubChem CID: 138686815
• Molecular Formula: C30H35N7
• Molecular Weight: 493.66 g/mol
• Exact Mass: 493.30
• IUPAC Name: N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine
• SMILES: Cc1cnc(CNC2CCC(c3ccc4[nH]c(-c5cn(C)c6ncccc56)c(C(C)C)c4n3)CC2)cn1
• InChI: InChI=1S/C30H35N7/c1-18(2)27-28(24-17-37(4)30-23(24)6-5-13-31-30)36-26-12-11-25(35-29(26)27)20-7-9-21(10-8-20)34-16-22-15-32-19(3)14-33-22/h5-6,11-15,17-18,20-21,34,36H,7-10,16H2,1-4H3
• InChIKey: MTQGESOWAZXCQZ-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.66
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine?

The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine (CID 138686815) is N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine.

What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine?

The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine is Cc1cnc(CNC2CCC(c3ccc4[nH]c(-c5cn(C)c6ncccc56)c(C(C)C)c4n3)CC2)cn1.

What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine?

The InChIKey is MTQGESOWAZXCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7/c1-18(2)27-28(24-17-37(4)30-23(24)6-5-13-31-30)36-26-12-11-25(35-29(26)27)20-7-9-21(10-8-20)34-16-22-15-32-19(3)14-33-22/h5-6,11-15,17-18,20-21,34,36H,7-10,16H2,1-4H3.

What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine?

N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine has a molecular weight of 493.66 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylpyrazin-2-yl)methyl]-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 138686815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).