[(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C25H30ClN5O4 — CID 167143762

IUPAC[(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@@H](c3cc(NC(=O)Cc4ccc(N5CCCC5=O)cc4Cl)n[nH]3)C2)CC1
InChIInChI=1S/C25H30ClN5O4/c1-25(8-9-25)28-24(34)35-18-7-5-16(11-18)20-14-21(30-29-20)27-22(32)12-15-4-6-17(13-19(15)26)31-10-2-3-23(31)33/h4,6,13-14,16,18H,2-3,5,7-12H2,1H3,(H,28,34)(H2,27,29,30,32)/t16-,18-/m1/s1
InChIKeyAHEIZJDLXRNBCO-SJLPKXTDSA-N
MW500.00 g/mol
LogP4.29
Rot. Bonds7

About [(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 167143762) has the molecular formula C25H30ClN5O4 and a molecular weight of 500.00 g/mol. Its IUPAC name is [(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID167143762
Molecular FormulaC25H30ClN5O4
Molecular Weight500.00 g/mol
Exact Mass499.20
IUPAC Name[(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@@H](c3cc(NC(=O)Cc4ccc(N5CCCC5=O)cc4Cl)n[nH]3)C2)CC1
InChIInChI=1S/C25H30ClN5O4/c1-25(8-9-25)28-24(34)35-18-7-5-16(11-18)20-14-21(30-29-20)27-22(32)12-15-4-6-17(13-19(15)26)31-10-2-3-23(31)33/h4,6,13-14,16,18H,2-3,5,7-12H2,1H3,(H,28,34)(H2,27,29,30,32)/t16-,18-/m1/s1
InChIKeyAHEIZJDLXRNBCO-SJLPKXTDSA-N
XLogP4.29
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500500.00
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3S)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143753
[(1S)-3-[3-[[2-[2-cyano-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143038
[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143151
[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143056
[(1S,3S)-3-[3-[2-[2-(1,3,4-oxadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143042
[(1R,3S)-3-[3-[[2-(3-chloro-4-methyl-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616585
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[(1R,3S)-3-[3-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616684
[3-[3-[[2-(2-cyclopropyl-1,3-oxazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 155025446
[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 170073903
[(1S,4R)-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cycloheptyl] N-(1-methylcyclopropyl)carbamate
CID 164879606
[3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 176998441

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 167143762) is [(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@@H]2CC[C@@H](c3cc(NC(=O)Cc4ccc(N5CCCC5=O)cc4Cl)n[nH]3)C2)CC1.
What is the InChIKey of [(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is AHEIZJDLXRNBCO-SJLPKXTDSA-N. The full InChI is InChI=1S/C25H30ClN5O4/c1-25(8-9-25)28-24(34)35-18-7-5-16(11-18)20-14-21(30-29-20)27-22(32)12-15-4-6-17(13-19(15)26)31-10-2-3-23(31)33/h4,6,13-14,16,18H,2-3,5,7-12H2,1H3,(H,28,34)(H2,27,29,30,32)/t16-,18-/m1/s1.
What are the key properties of [(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 500.00 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 167143762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).