7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C24H28ClN5O3 — CID 166611623

About 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide

7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 166611623) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 166611623
• Molecular Formula: C24H28ClN5O3
• Molecular Weight: 469.97 g/mol
• Exact Mass: 469.19
• IUPAC Name: 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• SMILES: CC1(C)C[C@H](C[C@@H](C#N)NC(=O)[C@H](CC2CC2)NC(=O)c2cc3cccc(Cl)c3[nH]2)C(=O)N1
• InChI: InChI=1S/C24H28ClN5O3/c1-24(2)11-15(21(31)30-24)9-16(12-26)27-22(32)18(8-13-6-7-13)29-23(33)19-10-14-4-3-5-17(25)20(14)28-19/h3-5,10,13,15-16,18,28H,6-9,11H2,1-2H3,(H,27,32)(H,29,33)(H,30,31)/t15-,16-,18-/m0/s1
• InChIKey: BSRZBPVEEKHEIF-BQFCYCMXSA-N
• XLogP: 3.03
• 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	469.97
LogP ≤ 5	3.03
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)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 166611623) is 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is CC1(C)C[C@H](C[C@@H](C#N)NC(=O)[C@H](CC2CC2)NC(=O)c2cc3cccc(Cl)c3[nH]2)C(=O)N1.

What is the InChIKey of 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is BSRZBPVEEKHEIF-BQFCYCMXSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-24(2)11-15(21(31)30-24)9-16(12-26)27-22(32)18(8-13-6-7-13)29-23(33)19-10-14-4-3-5-17(25)20(14)28-19/h3-5,10,13,15-16,18,28H,6-9,11H2,1-2H3,(H,27,32)(H,29,33)(H,30,31)/t15-,16-,18-/m0/s1.

What are the key properties of 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 469.97 g/mol, XLogP of 3.03, 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)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166611623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).