(1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine

C28H37N7O — CID 156566283

About (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine

(1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine (PubChem CID 156566283) has the molecular formula C28H37N7O and a molecular weight of 487.65 g/mol. Its IUPAC name is (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine.

Molecular Properties

• Compound Name: (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine
• PubChem CID: 156566283
• Molecular Formula: C28H37N7O
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.31
• IUPAC Name: (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine
• SMILES: Cc1c(-c2[nH]c3ccc(N[C@]4(C)CC4(C)NC4CCOCC4)nc3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C28H37N7O/c1-16(2)23-24(20-13-35-26(29-15-30-35)18(4)17(20)3)31-21-7-8-22(32-25(21)23)34-28(6)14-27(28,5)33-19-9-11-36-12-10-19/h7-8,13,15-16,19,31,33H,9-12,14H2,1-6H3,(H,32,34)/t27?,28-/m1/s1
• InChIKey: QAKURJPPJBYNJE-PLYLYKGUSA-N
• XLogP: 5.11
• TPSA: 92.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine?

The IUPAC name of (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine (CID 156566283) is (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine.

What is the SMILES notation for (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine?

The canonical SMILES for (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine is Cc1c(-c2[nH]c3ccc(N[C@]4(C)CC4(C)NC4CCOCC4)nc3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine?

The InChIKey is QAKURJPPJBYNJE-PLYLYKGUSA-N. The full InChI is InChI=1S/C28H37N7O/c1-16(2)23-24(20-13-35-26(29-15-30-35)18(4)17(20)3)31-21-7-8-22(32-25(21)23)34-28(6)14-27(28,5)33-19-9-11-36-12-10-19/h7-8,13,15-16,19,31,33H,9-12,14H2,1-6H3,(H,32,34)/t27?,28-/m1/s1.

What are the key properties of (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine?

(1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine has a molecular weight of 487.65 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-N-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,2-dimethyl-2-N-(oxan-4-yl)cyclopropane-1,2-diamine is sourced from PubChem (CID 156566283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).