[5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate

C23H35N5O5 — CID 151948623

IUPAC[5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate
SMILESCOC1=CC(=O)N([C@@H](CC2CCCC2)C(=O)Nc2ccn(CCCC(C)(C)OC(N)=O)n2)C1
InChIInChI=1S/C23H35N5O5/c1-23(2,33-22(24)31)10-6-11-27-12-9-19(26-27)25-21(30)18(13-16-7-4-5-8-16)28-15-17(32-3)14-20(28)29/h9,12,14,16,18H,4-8,10-11,13,15H2,1-3H3,(H2,24,31)(H,25,26,30)/t18-/m0/s1
InChIKeyTWDZTXBIDVPTGZ-SFHVURJKSA-N
MW461.56 g/mol
LogP2.80
Rot. Bonds11

About [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate

[5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate (PubChem CID 151948623) has the molecular formula C23H35N5O5 and a molecular weight of 461.56 g/mol. Its IUPAC name is [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate
PubChem CID151948623
Molecular FormulaC23H35N5O5
Molecular Weight461.56 g/mol
Exact Mass461.26
IUPAC Name[5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate
SMILESCOC1=CC(=O)N([C@@H](CC2CCCC2)C(=O)Nc2ccn(CCCC(C)(C)OC(N)=O)n2)C1
InChIInChI=1S/C23H35N5O5/c1-23(2,33-22(24)31)10-6-11-27-12-9-19(26-27)25-21(30)18(13-16-7-4-5-8-16)28-15-17(32-3)14-20(28)29/h9,12,14,16,18H,4-8,10-11,13,15H2,1-3H3,(H2,24,31)(H,25,26,30)/t18-/m0/s1
InChIKeyTWDZTXBIDVPTGZ-SFHVURJKSA-N
XLogP2.80
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate with MolForge

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Related Compounds

3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 66898726
3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide
CID 66899088
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide
CID 67504582
(2S)-2-[3-(2-butylphenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 66899900
2-[3-(3-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 66899118
2-[3-(2-chloro-3-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]propanamide
CID 66899999
3-cyclohexyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67504742
3-cyclohexyl-2-[3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67504740
(2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
CID 70674450
2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
CID 66899398
tert-butyl N-[2-[3-[[(2S)-3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]ethyl]carbamate
CID 91026354
2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide
CID 66899399

Frequently Asked Questions

What is the IUPAC name of [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate?
The IUPAC name of [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate (CID 151948623) is [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate.
What is the SMILES notation for [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate?
The canonical SMILES for [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate is COC1=CC(=O)N([C@@H](CC2CCCC2)C(=O)Nc2ccn(CCCC(C)(C)OC(N)=O)n2)C1.
What is the InChIKey of [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate?
The InChIKey is TWDZTXBIDVPTGZ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H35N5O5/c1-23(2,33-22(24)31)10-6-11-27-12-9-19(26-27)25-21(30)18(13-16-7-4-5-8-16)28-15-17(32-3)14-20(28)29/h9,12,14,16,18H,4-8,10-11,13,15H2,1-3H3,(H2,24,31)(H,25,26,30)/t18-/m0/s1.
What are the key properties of [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate?
[5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate has a molecular weight of 461.56 g/mol, XLogP of 2.80, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate is sourced from PubChem (CID 151948623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).