7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane

C23H28ClN5O3 — CID 167504271

IUPAC7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
SMILESCC1CC1.N#CC(CC1CCCNC1=O)NC(=O)CNC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C19H20ClN5O3.C4H8/c20-14-5-1-3-11-8-15(25-17(11)14)19(28)23-10-16(26)24-13(9-21)7-12-4-2-6-22-18(12)27;1-4-2-3-4/h1,3,5,8,12-13,25H,2,4,6-7,10H2,(H,22,27)(H,23,28)(H,24,26);4H,2-3H2,1H3
InChIKeyJTGCNPAWGHFEOB-UHFFFAOYSA-N
MW457.96 g/mol
LogP2.89
Rot. Bonds6

About 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane

7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane (PubChem CID 167504271) has the molecular formula C23H28ClN5O3 and a molecular weight of 457.96 g/mol. Its IUPAC name is 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane.

Molecular Properties

Compound Name7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
PubChem CID167504271
Molecular FormulaC23H28ClN5O3
Molecular Weight457.96 g/mol
Exact Mass457.19
IUPAC Name7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
SMILESCC1CC1.N#CC(CC1CCCNC1=O)NC(=O)CNC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C19H20ClN5O3.C4H8/c20-14-5-1-3-11-8-15(25-17(11)14)19(28)23-10-16(26)24-13(9-21)7-12-4-2-6-22-18(12)27;1-4-2-3-4/h1,3,5,8,12-13,25H,2,4,6-7,10H2,(H,22,27)(H,23,28)(H,24,26);4H,2-3H2,1H3
InChIKeyJTGCNPAWGHFEOB-UHFFFAOYSA-N
XLogP2.89
TPSA126.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane with MolForge

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Related Compounds

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
7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 166611602
(2R)-2-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-4,4-dimethylpentanamide
CID 167626525
6-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2,2-difluoro-6-azaspiro[3.4]octane-7-carboxamide
CID 175458533
(2S)-2-[[(7-chloro-1H-indol-2-yl)-hydroxymethyl]amino]-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-4,4-dimethylpentanamide
CID 167076982
2-(7-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide
CID 175458240
N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide
CID 166840578
7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
CID 170611284
2-[(7-chloro-1H-indol-2-yl)-hydroxymethyl]-N-[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide
CID 167077023
methyl 2-[[2-[(7-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 175458447
N-[(2S)-1-[[1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloro-1H-indole-2-carboxamide
CID 167523907
N-[2-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-7-fluoro-1H-indole-2-carboxamide
CID 170611255

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane?
The IUPAC name of 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane (CID 167504271) is 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane.
What is the SMILES notation for 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane?
The canonical SMILES for 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane is CC1CC1.N#CC(CC1CCCNC1=O)NC(=O)CNC(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane?
The InChIKey is JTGCNPAWGHFEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3.C4H8/c20-14-5-1-3-11-8-15(25-17(11)14)19(28)23-10-16(26)24-13(9-21)7-12-4-2-6-22-18(12)27;1-4-2-3-4/h1,3,5,8,12-13,25H,2,4,6-7,10H2,(H,22,27)(H,23,28)(H,24,26);4H,2-3H2,1H3.
What are the key properties of 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane?
7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane has a molecular weight of 457.96 g/mol, XLogP of 2.89, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane is sourced from PubChem (CID 167504271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).