7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide

C23H25ClFN5O3 — CID 166840143

About 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide

7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide (PubChem CID 166840143) has the molecular formula C23H25ClFN5O3 and a molecular weight of 473.94 g/mol. Its IUPAC name is 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide
• PubChem CID: 166840143
• Molecular Formula: C23H25ClFN5O3
• Molecular Weight: 473.94 g/mol
• Exact Mass: 473.16
• IUPAC Name: 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide
• SMILES: N#CC(CC1CCCNC1=O)NC(=O)C(CC1CC1)NC(=O)c1cc2c(F)ccc(Cl)c2[nH]1
• InChI: InChI=1S/C23H25ClFN5O3/c24-16-5-6-17(25)15-10-19(29-20(15)16)23(33)30-18(8-12-3-4-12)22(32)28-14(11-26)9-13-2-1-7-27-21(13)31/h5-6,10,12-14,18,29H,1-4,7-9H2,(H,27,31)(H,28,32)(H,30,33)
• InChIKey: QOXULINUOWNTBL-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 126.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.94
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide?

The IUPAC name of 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide (CID 166840143) is 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide.

What is the SMILES notation for 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide?

The canonical SMILES for 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide is N#CC(CC1CCCNC1=O)NC(=O)C(CC1CC1)NC(=O)c1cc2c(F)ccc(Cl)c2[nH]1.

What is the InChIKey of 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide?

The InChIKey is QOXULINUOWNTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O3/c24-16-5-6-17(25)15-10-19(29-20(15)16)23(33)30-18(8-12-3-4-12)22(32)28-14(11-26)9-13-2-1-7-27-21(13)31/h5-6,10,12-14,18,29H,1-4,7-9H2,(H,27,31)(H,28,32)(H,30,33).

What are the key properties of 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide?

7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 473.94 g/mol, XLogP of 2.78, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 166840143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).