5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine

C19H24F5N5O — CID 142298556

IUPAC5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC1CCN(CC(F)(F)F)C1.Nc1ncc(-c2cnc(C3CC3)[nH]2)cc1OC(F)F
InChIInChI=1S/C12H12F2N4O.C7H12F3N/c13-12(14)19-9-3-7(4-16-10(9)15)8-5-17-11(18-8)6-1-2-6;1-6-2-3-11(4-6)5-7(8,9)10/h3-6,12H,1-2H2,(H2,15,16)(H,17,18);6H,2-5H2,1H3
InChIKeyMBZZEQUFCKDSSL-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.42
Rot. Bonds5

About 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine

5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 142298556) has the molecular formula C19H24F5N5O and a molecular weight of 433.43 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID142298556
Molecular FormulaC19H24F5N5O
Molecular Weight433.43 g/mol
Exact Mass433.19
IUPAC Name5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC1CCN(CC(F)(F)F)C1.Nc1ncc(-c2cnc(C3CC3)[nH]2)cc1OC(F)F
InChIInChI=1S/C12H12F2N4O.C7H12F3N/c13-12(14)19-9-3-7(4-16-10(9)15)8-5-17-11(18-8)6-1-2-6;1-6-2-3-11(4-6)5-7(8,9)10/h3-6,12H,1-2H2,(H2,15,16)(H,17,18);6H,2-5H2,1H3
InChIKeyMBZZEQUFCKDSSL-UHFFFAOYSA-N
XLogP4.42
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclobutyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine
CID 142298661
5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
CID 142298581
1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 142298536
5-(2-cyclopropyl-1H-imidazol-5-yl)-3-methylpyridin-2-amine
CID 142298664
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol
CID 134505321
4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-1,3-thiazole
CID 67360626
5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 134281066
5-[6-(azetidin-1-yl)-2-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123851386
5-(difluoromethoxy)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 97160979
3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 154971525
3-(difluoromethoxy)-5-[2-[(3S,4S)-3-fluoro-4-methylpyrrolidin-1-yl]-6-(3-morpholin-4-ylcyclopentyl)pyrimidin-4-yl]pyridin-2-amine
CID 144739937

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 142298556) is 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine is CC1CCN(CC(F)(F)F)C1.Nc1ncc(-c2cnc(C3CC3)[nH]2)cc1OC(F)F.
What is the InChIKey of 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is MBZZEQUFCKDSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O.C7H12F3N/c13-12(14)19-9-3-7(4-16-10(9)15)8-5-17-11(18-8)6-1-2-6;1-6-2-3-11(4-6)5-7(8,9)10/h3-6,12H,1-2H2,(H2,15,16)(H,17,18);6H,2-5H2,1H3.
What are the key properties of 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 433.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 142298556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).