N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C20H22F4N4O3 — CID 141483729

IUPACN-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1cc([C@](C)(NC(=O)c2cc(OCC(F)(F)F)c(C3(F)COC3)cn2)C2CC2)n[nH]1
InChIInChI=1S/C20H22F4N4O3/c1-11-5-16(28-27-11)18(2,12-3-4-12)26-17(29)14-6-15(31-10-20(22,23)24)13(7-25-14)19(21)8-30-9-19/h5-7,12H,3-4,8-10H2,1-2H3,(H,26,29)(H,27,28)/t18-/m1/s1
InChIKeyIIEQIGUILXZIKD-GOSISDBHSA-N
MW442.41 g/mol
LogP3.30
Rot. Bonds7

About N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 141483729) has the molecular formula C20H22F4N4O3 and a molecular weight of 442.41 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID141483729
Molecular FormulaC20H22F4N4O3
Molecular Weight442.41 g/mol
Exact Mass442.16
IUPAC NameN-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1cc([C@](C)(NC(=O)c2cc(OCC(F)(F)F)c(C3(F)COC3)cn2)C2CC2)n[nH]1
InChIInChI=1S/C20H22F4N4O3/c1-11-5-16(28-27-11)18(2,12-3-4-12)26-17(29)14-6-15(31-10-20(22,23)24)13(7-25-14)19(21)8-30-9-19/h5-7,12H,3-4,8-10H2,1-2H3,(H,26,29)(H,27,28)/t18-/m1/s1
InChIKeyIIEQIGUILXZIKD-GOSISDBHSA-N
XLogP3.30
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483792
5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 141483767
5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90203246
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483742
N-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90203420
N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204122
3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
CID 158116709
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90205070
tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate
CID 90203437
N-[(Z)-3-amino-2-cyclopropyl-4-(hydroxymethyl)hex-3-en-2-yl]-5-bromo-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90214908
N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204287
5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid
CID 90214950

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 141483729) is N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is Cc1cc([C@](C)(NC(=O)c2cc(OCC(F)(F)F)c(C3(F)COC3)cn2)C2CC2)n[nH]1.
What is the InChIKey of N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is IIEQIGUILXZIKD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22F4N4O3/c1-11-5-16(28-27-11)18(2,12-3-4-12)26-17(29)14-6-15(31-10-20(22,23)24)13(7-25-14)19(21)8-30-9-19/h5-7,12H,3-4,8-10H2,1-2H3,(H,26,29)(H,27,28)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 442.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 141483729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).