7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C23H24ClF2N5O3 — CID 166840690

About 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 166840690) has the molecular formula C23H24ClF2N5O3 and a molecular weight of 491.93 g/mol. Its IUPAC name is 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 166840690
• Molecular Formula: C23H24ClF2N5O3
• Molecular Weight: 491.93 g/mol
• Exact Mass: 491.15
• IUPAC Name: 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• SMILES: N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1(F)F)NC(=O)c1cc2cccc(Cl)c2[nH]1
• InChI: InChI=1S/C23H24ClF2N5O3/c24-16-5-1-3-12-8-17(30-19(12)16)22(34)31-18(9-14-10-23(14,25)26)21(33)29-15(11-27)7-13-4-2-6-28-20(13)32/h1,3,5,8,13-15,18,30H,2,4,6-7,9-10H2,(H,28,32)(H,29,33)(H,31,34)/t13-,14?,15-,18-/m0/s1
• InChIKey: FBGTYRFPKJVAGS-XGVZATPDSA-N
• XLogP: 2.89
• TPSA: 126.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.93
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 166840690) is 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

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

The canonical SMILES for 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1(F)F)NC(=O)c1cc2cccc(Cl)c2[nH]1.

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

The InChIKey is FBGTYRFPKJVAGS-XGVZATPDSA-N. The full InChI is InChI=1S/C23H24ClF2N5O3/c24-16-5-1-3-12-8-17(30-19(12)16)22(34)31-18(9-14-10-23(14,25)26)21(33)29-15(11-27)7-13-4-2-6-28-20(13)32/h1,3,5,8,13-15,18,30H,2,4,6-7,9-10H2,(H,28,32)(H,29,33)(H,31,34)/t13-,14?,15-,18-/m0/s1.

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

7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 491.93 g/mol, XLogP of 2.89, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166840690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).