7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane

C23H29FN4O5 — CID 170611284

IUPAC7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
SMILESCC1CC1.O=C(CNC(=O)c1cc2cccc(F)c2[nH]1)NC(CC1CCNC1=O)C(=O)CO
InChIInChI=1S/C19H21FN4O5.C4H8/c20-12-3-1-2-10-6-14(24-17(10)12)19(29)22-8-16(27)23-13(15(26)9-25)7-11-4-5-21-18(11)28;1-4-2-3-4/h1-3,6,11,13,24-25H,4-5,7-9H2,(H,21,28)(H,22,29)(H,23,27);4H,2-3H2,1H3
InChIKeyROLGLPSHGTWCRZ-UHFFFAOYSA-N
MW460.51 g/mol
LogP1.03
Rot. Bonds8

About 7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane

7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane (PubChem CID 170611284) has the molecular formula C23H29FN4O5 and a molecular weight of 460.51 g/mol. Its IUPAC name is 7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane.

Molecular Properties

Compound Name7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
PubChem CID170611284
Molecular FormulaC23H29FN4O5
Molecular Weight460.51 g/mol
Exact Mass460.21
IUPAC Name7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
SMILESCC1CC1.O=C(CNC(=O)c1cc2cccc(F)c2[nH]1)NC(CC1CCNC1=O)C(=O)CO
InChIInChI=1S/C19H21FN4O5.C4H8/c20-12-3-1-2-10-6-14(24-17(10)12)19(29)22-8-16(27)23-13(15(26)9-25)7-11-4-5-21-18(11)28;1-4-2-3-4/h1-3,6,11,13,24-25H,4-5,7-9H2,(H,21,28)(H,22,29)(H,23,27);4H,2-3H2,1H3
InChIKeyROLGLPSHGTWCRZ-UHFFFAOYSA-N
XLogP1.03
TPSA140.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 51.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane with MolForge

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Related Compounds

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
N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide
CID 170431183
7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 170431354
5,7-difluoro-N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 170446795
5,7-difluoro-N-[2-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2,2-dimethylpropane
CID 170611241
[3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate;methylcyclopropane
CID 170611210
7-fluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
CID 170450311
N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 143139060
[3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] 2-amino-3-methylbutanoate
CID 170611211
[(3S)-3-[[2-[(5,7-difluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] 2-amino-3-methylbutanoate
CID 170611274
7-chloro-N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 170431518
N-[2-oxo-2-[[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 163226879

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane?
The IUPAC name of 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) is 7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane.
What is the SMILES notation for 7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane?
The canonical SMILES for 7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane is CC1CC1.O=C(CNC(=O)c1cc2cccc(F)c2[nH]1)NC(CC1CCNC1=O)C(=O)CO.
What is the InChIKey of 7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane?
The InChIKey is ROLGLPSHGTWCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O5.C4H8/c20-12-3-1-2-10-6-14(24-17(10)12)19(29)22-8-16(27)23-13(15(26)9-25)7-11-4-5-21-18(11)28;1-4-2-3-4/h1-3,6,11,13,24-25H,4-5,7-9H2,(H,21,28)(H,22,29)(H,23,27);4H,2-3H2,1H3.
What are the key properties of 7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane?
7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane has a molecular weight of 460.51 g/mol, XLogP of 1.03, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane is sourced from PubChem (CID 170611284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).