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

C20H22F5N5O2 — CID 141483792

IUPACN-[1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1cc(C(C)(NC(=O)c2cc(OCC(F)(F)F)c(N3CC(F)(F)C3)cn2)C2CC2)n[nH]1
InChIInChI=1S/C20H22F5N5O2/c1-11-5-16(29-28-11)18(2,12-3-4-12)27-17(31)13-6-15(32-10-20(23,24)25)14(7-26-13)30-8-19(21,22)9-30/h5-7,12H,3-4,8-10H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyGXBPZEDVUILDEM-UHFFFAOYSA-N
MW459.42 g/mol
LogP3.56
Rot. Bonds7

About 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

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 (PubChem CID 141483792) has the molecular formula C20H22F5N5O2 and a molecular weight of 459.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID141483792
Molecular FormulaC20H22F5N5O2
Molecular Weight459.42 g/mol
Exact Mass459.17
IUPAC NameN-[1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1cc(C(C)(NC(=O)c2cc(OCC(F)(F)F)c(N3CC(F)(F)C3)cn2)C2CC2)n[nH]1
InChIInChI=1S/C20H22F5N5O2/c1-11-5-16(29-28-11)18(2,12-3-4-12)27-17(31)13-6-15(32-10-20(23,24)25)14(7-26-13)30-8-19(21,22)9-30/h5-7,12H,3-4,8-10H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyGXBPZEDVUILDEM-UHFFFAOYSA-N
XLogP3.56
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483742
(3S)-4-cyclopropyl-1-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
CID 148645593
6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 141364887
N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204122
5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]decan-1-amine
CID 158031524
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90205070
2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole
CID 150813686
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-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 81486871

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(C)(NC(=O)c2cc(OCC(F)(F)F)c(N3CC(F)(F)C3)cn2)C2CC2)n[nH]1.
What is the InChIKey of 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?
The InChIKey is GXBPZEDVUILDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F5N5O2/c1-11-5-16(29-28-11)18(2,12-3-4-12)27-17(31)13-6-15(32-10-20(23,24)25)14(7-26-13)30-8-19(21,22)9-30/h5-7,12H,3-4,8-10H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 459.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141483792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).