N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine

C27H34N6O — CID 138686215

About N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine

N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine (PubChem CID 138686215) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine.

Molecular Properties

• Compound Name: N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine
• PubChem CID: 138686215
• Molecular Formula: C27H34N6O
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.28
• IUPAC Name: N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine
• SMILES: COc1cc(-c2[nH]c3ccc(C4CCC(NC(C)C5CC5)C4)nc3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C27H34N6O/c1-15(2)24-25(19-12-23(34-4)27-28-14-29-33(27)13-19)32-22-10-9-21(31-26(22)24)18-7-8-20(11-18)30-16(3)17-5-6-17/h9-10,12-18,20,30,32H,5-8,11H2,1-4H3
• InChIKey: YFKATYTTWGFAKF-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 80.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine?

The IUPAC name of N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine (CID 138686215) is N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine.

What is the SMILES notation for N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine?

The canonical SMILES for N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine is COc1cc(-c2[nH]c3ccc(C4CCC(NC(C)C5CC5)C4)nc3c2C(C)C)cn2ncnc12.

What is the InChIKey of N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine?

The InChIKey is YFKATYTTWGFAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-15(2)24-25(19-12-23(34-4)27-28-14-29-33(27)13-19)32-22-10-9-21(31-26(22)24)18-7-8-20(11-18)30-16(3)17-5-6-17/h9-10,12-18,20,30,32H,5-8,11H2,1-4H3.

What are the key properties of N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine?

N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine has a molecular weight of 458.61 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 138686215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).