4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C28H26ClF2N5O2 — CID 177170654

About 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 177170654) has the molecular formula C28H26ClF2N5O2 and a molecular weight of 538.00 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 177170654
• Molecular Formula: C28H26ClF2N5O2
• Molecular Weight: 538.00 g/mol
• Exact Mass: 537.17
• IUPAC Name: 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• SMILES: CN(C)C(=O)c1cc2c(-c3cc(F)ccc3Cl)cc(C3=CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1
• InChI: InChI=1S/C28H26ClF2N5O2/c1-34(2)28(38)24-15-22-20(21-13-18(30)6-7-23(21)29)14-19(26(31)27(22)33-24)17-5-3-10-35(16-17)25(37)8-12-36-11-4-9-32-36/h4-7,9,11,13-15,33H,3,8,10,12,16H2,1-2H3
• InChIKey: APYKNXOTVPVKEF-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 74.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.00
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 177170654) is 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2c(-c3cc(F)ccc3Cl)cc(C3=CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1.

What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The InChIKey is APYKNXOTVPVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF2N5O2/c1-34(2)28(38)24-15-22-20(21-13-18(30)6-7-23(21)29)14-19(26(31)27(22)33-24)17-5-3-10-35(16-17)25(37)8-12-36-11-4-9-32-36/h4-7,9,11,13-15,33H,3,8,10,12,16H2,1-2H3.

What are the key properties of 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 538.00 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-fluorophenyl)-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177170654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).