[(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

C28H33N7O5 — CID 167143042

IUPAC[(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
SMILESCC(C(=O)Nc1cc([C@H]2CC[C@H](OC(=O)NC3(C)CC3)C2)[nH]n1)c1ccc(N2CCCC2=O)cc1-c1nnco1
InChIInChI=1S/C28H33N7O5/c1-16(20-8-6-18(35-11-3-4-24(35)36)13-21(20)26-34-29-15-39-26)25(37)30-23-14-22(32-33-23)17-5-7-19(12-17)40-27(38)31-28(2)9-10-28/h6,8,13-17,19H,3-5,7,9-12H2,1-2H3,(H,31,38)(H2,30,32,33,37)/t16?,17-,19-/m0/s1
InChIKeyNVCWNRSBXBMRAY-SJQFFEKCSA-N
MW547.62 g/mol
LogP4.24
Rot. Bonds8

About [(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

[(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 (PubChem CID 167143042) has the molecular formula C28H33N7O5 and a molecular weight of 547.62 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID167143042
Molecular FormulaC28H33N7O5
Molecular Weight547.62 g/mol
Exact Mass547.25
IUPAC Name[(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
SMILESCC(C(=O)Nc1cc([C@H]2CC[C@H](OC(=O)NC3(C)CC3)C2)[nH]n1)c1ccc(N2CCCC2=O)cc1-c1nnco1
InChIInChI=1S/C28H33N7O5/c1-16(20-8-6-18(35-11-3-4-24(35)36)13-21(20)26-34-29-15-39-26)25(37)30-23-14-22(32-33-23)17-5-7-19(12-17)40-27(38)31-28(2)9-10-28/h6,8,13-17,19H,3-5,7,9-12H2,1-2H3,(H,31,38)(H2,30,32,33,37)/t16?,17-,19-/m0/s1
InChIKeyNVCWNRSBXBMRAY-SJQFFEKCSA-N
XLogP4.24
TPSA155.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.62
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143056
[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143151
[(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
[(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
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 170073903
[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-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 154616677
[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895214
[(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-[(3-methoxy-1,2,4-triazin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895247

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C(=O)Nc1cc([C@H]2CC[C@H](OC(=O)NC3(C)CC3)C2)[nH]n1)c1ccc(N2CCCC2=O)cc1-c1nnco1.
What is the InChIKey of [(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?
The InChIKey is NVCWNRSBXBMRAY-SJQFFEKCSA-N. The full InChI is InChI=1S/C28H33N7O5/c1-16(20-8-6-18(35-11-3-4-24(35)36)13-21(20)26-34-29-15-39-26)25(37)30-23-14-22(32-33-23)17-5-7-19(12-17)40-27(38)31-28(2)9-10-28/h6,8,13-17,19H,3-5,7,9-12H2,1-2H3,(H,31,38)(H2,30,32,33,37)/t16?,17-,19-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 547.62 g/mol, XLogP of 4.24, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 167143042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).