N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine

C27H35N7O — CID 155382062

About N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine

N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine (PubChem CID 155382062) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine.

Molecular Properties

• Compound Name: N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine
• PubChem CID: 155382062
• Molecular Formula: C27H35N7O
• Molecular Weight: 473.63 g/mol
• Exact Mass: 473.29
• IUPAC Name: N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine
• SMILES: C=C(CC)NC1CCN(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2C)CC1
• InChI: InChI=1S/C27H35N7O/c1-7-17(4)31-20-8-10-33(11-9-20)26-18(5)24-21(13-28-26)32-25(23(24)16(2)3)19-12-22(35-6)27-29-15-30-34(27)14-19/h12-16,20,31-32H,4,7-11H2,1-3,5-6H3
• InChIKey: BSEDDMXSLGEMJE-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 83.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.63
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine?

The IUPAC name of N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine (CID 155382062) is N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine.

What is the SMILES notation for N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine?

The canonical SMILES for N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine is C=C(CC)NC1CCN(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2C)CC1.

What is the InChIKey of N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine?

The InChIKey is BSEDDMXSLGEMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O/c1-7-17(4)31-20-8-10-33(11-9-20)26-18(5)24-21(13-28-26)32-25(23(24)16(2)3)19-12-22(35-6)27-29-15-30-34(27)14-19/h12-16,20,31-32H,4,7-11H2,1-3,5-6H3.

What are the key properties of N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine?

N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine has a molecular weight of 473.63 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine is sourced from PubChem (CID 155382062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).