(2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C20H22F3N5O3 — CID 110199024

IUPAC(2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C20H22F3N5O3/c1-12-7-17(20(21,22)23)26-28(12)11-18(29)27-10-15(31-14-3-2-6-24-9-14)8-16(27)19(30)25-13-4-5-13/h2-3,6-7,9,13,15-16H,4-5,8,10-11H2,1H3,(H,25,30)/t15-,16-/m0/s1
InChIKeyOVBCXHUNCQRDBK-HOTGVXAUSA-N
MW437.42 g/mol
LogP1.93
Rot. Bonds6

About (2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110199024) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110199024
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC Name(2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C20H22F3N5O3/c1-12-7-17(20(21,22)23)26-28(12)11-18(29)27-10-15(31-14-3-2-6-24-9-14)8-16(27)19(30)25-13-4-5-13/h2-3,6-7,9,13,15-16H,4-5,8,10-11H2,1H3,(H,25,30)/t15-,16-/m0/s1
InChIKeyOVBCXHUNCQRDBK-HOTGVXAUSA-N
XLogP1.93
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-N-cyclopropyl-1-(2-phenylacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199033
(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199017
(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198976
(2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198723
(2S,4S)-1-(4-cyanobenzoyl)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198987
(2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
CID 110198586
(2S,4S)-N-methyl-1-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752
(2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198582
(2S,4S)-1-(cyclopentanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198738
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198721
(2S,4S)-N-cyclopropyl-1-[2-(4-fluorophenoxy)acetyl]-4-phenoxypyrrolidine-2-carboxamide
CID 110198565
(2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198726

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110199024) is (2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide is Cc1cc(C(F)(F)F)nn1CC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is OVBCXHUNCQRDBK-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-12-7-17(20(21,22)23)26-28(12)11-18(29)27-10-15(31-14-3-2-6-24-9-14)8-16(27)19(30)25-13-4-5-13/h2-3,6-7,9,13,15-16H,4-5,8,10-11H2,1H3,(H,25,30)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110199024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).