[(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate

C22H26F3N5O3 — CID 154664717

IUPAC[(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)OCC2CC[C@H](c3cc(NC(=O)Cc4ccc(C(F)(F)F)cn4)n[nH]3)C2)CC1
InChIInChI=1S/C22H26F3N5O3/c1-21(6-7-21)28-20(32)33-12-13-2-3-14(8-13)17-10-18(30-29-17)27-19(31)9-16-5-4-15(11-26-16)22(23,24)25/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,28,32)(H2,27,29,30,31)/t13?,14-/m0/s1
InChIKeyUWVZOYGMCNCGJM-KZUDCZAMSA-N
MW465.48 g/mol
LogP4.17
Rot. Bonds7

About [(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate

[(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate (PubChem CID 154664717) has the molecular formula C22H26F3N5O3 and a molecular weight of 465.48 g/mol. Its IUPAC name is [(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate
PubChem CID154664717
Molecular FormulaC22H26F3N5O3
Molecular Weight465.48 g/mol
Exact Mass465.20
IUPAC Name[(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)OCC2CC[C@H](c3cc(NC(=O)Cc4ccc(C(F)(F)F)cn4)n[nH]3)C2)CC1
InChIInChI=1S/C22H26F3N5O3/c1-21(6-7-21)28-20(32)33-12-13-2-3-14(8-13)17-10-18(30-29-17)27-19(31)9-16-5-4-15(11-26-16)22(23,24)25/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,28,32)(H2,27,29,30,31)/t13?,14-/m0/s1
InChIKeyUWVZOYGMCNCGJM-KZUDCZAMSA-N
XLogP4.17
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,3S)-3-[3-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616670
[(1R,3S)-3-[3-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616684
[(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-(6-methyl-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616882
[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-[[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-methoxy-2-methylsulfonylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-tert-butylcarbamate
CID 155040283
[(1R,3S)-3-[3-[[2-[5-(trifluoromethyl)pyrazin-2-yl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1-methoxypropan-2-yl]carbamate
CID 154616614
[(3S)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl (2S,3S)-2,3-dimethylazetidine-1-carboxylate
CID 154664654
[(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
[(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
[(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 154616677

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate (CID 154664717) is [(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)OCC2CC[C@H](c3cc(NC(=O)Cc4ccc(C(F)(F)F)cn4)n[nH]3)C2)CC1.
What is the InChIKey of [(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate?
The InChIKey is UWVZOYGMCNCGJM-KZUDCZAMSA-N. The full InChI is InChI=1S/C22H26F3N5O3/c1-21(6-7-21)28-20(32)33-12-13-2-3-14(8-13)17-10-18(30-29-17)27-19(31)9-16-5-4-15(11-26-16)22(23,24)25/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,28,32)(H2,27,29,30,31)/t13?,14-/m0/s1.
What are the key properties of [(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate?
[(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate has a molecular weight of 465.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-[[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 154664717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).