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

C26H32FN5O2 — CID 176932490

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

7-fluoro-N,N-dimethyl-6-[1-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-4-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 176932490) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 7-fluoro-N,N-dimethyl-6-[1-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-4-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N,N-dimethyl-6-[1-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-4-propan-2-yl-1H-indole-2-carboxamide
• PubChem CID: 176932490
• Molecular Formula: C26H32FN5O2
• Molecular Weight: 465.57 g/mol
• Exact Mass: 465.25
• IUPAC Name: 7-fluoro-N,N-dimethyl-6-[1-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-4-propan-2-yl-1H-indole-2-carboxamide
• SMILES: CC(C)c1cc(C2=CCCN(C(=O)[C@@H](C)Cn3cccn3)C2)c(F)c2[nH]c(C(=O)N(C)C)cc12
• InChI: InChI=1S/C26H32FN5O2/c1-16(2)19-12-20(23(27)24-21(19)13-22(29-24)26(34)30(4)5)18-8-6-10-31(15-18)25(33)17(3)14-32-11-7-9-28-32/h7-9,11-13,16-17,29H,6,10,14-15H2,1-5H3/t17-/m0/s1
• InChIKey: GJDFTGAOHIJYDS-KRWDZBQOSA-N
• XLogP: 4.28
• TPSA: 74.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.57
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-N,N-dimethyl-6-[1-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-4-propan-2-yl-1H-indole-2-carboxamide (CID 176932490) is 7-fluoro-N,N-dimethyl-6-[1-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-4-propan-2-yl-1H-indole-2-carboxamide.

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

The canonical SMILES for 7-fluoro-N,N-dimethyl-6-[1-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-4-propan-2-yl-1H-indole-2-carboxamide is CC(C)c1cc(C2=CCCN(C(=O)[C@@H](C)Cn3cccn3)C2)c(F)c2[nH]c(C(=O)N(C)C)cc12.

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

The InChIKey is GJDFTGAOHIJYDS-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-16(2)19-12-20(23(27)24-21(19)13-22(29-24)26(34)30(4)5)18-8-6-10-31(15-18)25(33)17(3)14-32-11-7-9-28-32/h7-9,11-13,16-17,29H,6,10,14-15H2,1-5H3/t17-/m0/s1.

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

7-fluoro-N,N-dimethyl-6-[1-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-4-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 465.57 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N,N-dimethyl-6-[1-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-4-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 176932490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).