[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen

C29H31FN6O2 — CID 177169937

About [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen

[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen (PubChem CID 177169937) has the molecular formula C29H31FN6O2 and a molecular weight of 514.61 g/mol. Its IUPAC name is [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen
• PubChem CID: 177169937
• Molecular Formula: C29H31FN6O2
• Molecular Weight: 514.61 g/mol
• Exact Mass: 514.25
• IUPAC Name: [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen
• SMILES: COc1ccccc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4cccc5nncn45)CC3)cc12.[H][H]
• InChI: InChI=1S/C29H29FN6O2.H2/c1-18(2)20-15-21(19-7-4-5-8-24(19)38-3)22-16-23(32-28(22)27(20)30)29(37)35-13-11-34(12-14-35)26-10-6-9-25-33-31-17-36(25)26;/h4-10,15-18,32H,11-14H2,1-3H3;1H
• InChIKey: WUYZIEJLAJNXND-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 78.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.61
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen?

The IUPAC name of [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen (CID 177169937) is [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen.

What is the SMILES notation for [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen?

The canonical SMILES for [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen is COc1ccccc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4cccc5nncn45)CC3)cc12.[H][H].

What is the InChIKey of [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen?

The InChIKey is WUYZIEJLAJNXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O2.H2/c1-18(2)20-15-21(19-7-4-5-8-24(19)38-3)22-16-23(32-28(22)27(20)30)29(37)35-13-11-34(12-14-35)26-10-6-9-25-33-31-17-36(25)26;/h4-10,15-18,32H,11-14H2,1-3H3;1H.

What are the key properties of [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen?

[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen has a molecular weight of 514.61 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen is sourced from PubChem (CID 177169937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).