N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide

C25H21FN6O2 — CID 175899284

About N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide

N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide (PubChem CID 175899284) has the molecular formula C25H21FN6O2 and a molecular weight of 456.48 g/mol. Its IUPAC name is N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide
• PubChem CID: 175899284
• Molecular Formula: C25H21FN6O2
• Molecular Weight: 456.48 g/mol
• Exact Mass: 456.17
• IUPAC Name: N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide
• SMILES: N#CC(NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cccc(F)c2[nH]1)c1cncc2cccnc12
• InChI: InChI=1S/C25H21FN6O2/c26-18-5-1-3-15-10-20(30-23(15)18)25(34)31-19(9-14-6-7-14)24(33)32-21(11-27)17-13-28-12-16-4-2-8-29-22(16)17/h1-5,8,10,12-14,19,21,30H,6-7,9H2,(H,31,34)(H,32,33)/t19-,21?/m0/s1
• InChIKey: IZIIPCKHNKKKSC-ZQRQZVKFSA-N
• XLogP: 3.53
• TPSA: 123.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.48
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide (CID 175899284) is N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide is N#CC(NC(=O)[C@H](CC1CC1)NC(=O)c1cc2cccc(F)c2[nH]1)c1cncc2cccnc12.

What is the InChIKey of N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide?

The InChIKey is IZIIPCKHNKKKSC-ZQRQZVKFSA-N. The full InChI is InChI=1S/C25H21FN6O2/c26-18-5-1-3-15-10-20(30-23(15)18)25(34)31-19(9-14-6-7-14)24(33)32-21(11-27)17-13-28-12-16-4-2-8-29-22(16)17/h1-5,8,10,12-14,19,21,30H,6-7,9H2,(H,31,34)(H,32,33)/t19-,21?/m0/s1.

What are the key properties of N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide?

N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 175899284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).