N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide

C19H17F4N5O3 — CID 138634429

IUPACN-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)N[C@H](CO)CF)cc(-c3ccc(OC(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C19H17F4N5O3/c1-28-9-12(8-24-28)17-26-15(6-16(27-17)18(30)25-13(7-20)10-29)11-2-4-14(5-3-11)31-19(21,22)23/h2-6,8-9,13,29H,7,10H2,1H3,(H,25,30)/t13-/m0/s1
InChIKeyJHYQVRVLZYAKCJ-ZDUSSCGKSA-N
MW439.37 g/mol
LogP2.50
Rot. Bonds7

About N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide

N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 138634429) has the molecular formula C19H17F4N5O3 and a molecular weight of 439.37 g/mol. Its IUPAC name is N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
PubChem CID138634429
Molecular FormulaC19H17F4N5O3
Molecular Weight439.37 g/mol
Exact Mass439.13
IUPAC NameN-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)N[C@H](CO)CF)cc(-c3ccc(OC(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C19H17F4N5O3/c1-28-9-12(8-24-28)17-26-15(6-16(27-17)18(30)25-13(7-20)10-29)11-2-4-14(5-3-11)31-19(21,22)23/h2-6,8-9,13,29H,7,10H2,1H3,(H,25,30)/t13-/m0/s1
InChIKeyJHYQVRVLZYAKCJ-ZDUSSCGKSA-N
XLogP2.50
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 142597449
N-[(1S,2R)-2-hydroxycyclobutyl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 151730800
(3R)-4-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-3-(trifluoromethyl)pentan-1-one
CID 158621720
N-[1-(2-fluoro-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 175427739
3-(hydroxymethyl)-1-[2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-4-pyridin-3-ylbutan-1-one
CID 161119259
2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 138634239
N-(1-hydroxypropan-2-yl)-2-(2-methylpyrazol-3-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155099695
2-(3,5-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 142597541
2-(3,5-dichlorophenyl)-N-(1-hydroxypropan-2-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155090481
2-(3-chloro-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155090509
6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 138634209
2-(3-cyano-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155090489

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide (CID 138634429) is N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide is Cn1cc(-c2nc(C(=O)N[C@H](CO)CF)cc(-c3ccc(OC(F)(F)F)cc3)n2)cn1.
What is the InChIKey of N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is JHYQVRVLZYAKCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17F4N5O3/c1-28-9-12(8-24-28)17-26-15(6-16(27-17)18(30)25-13(7-20)10-29)11-2-4-14(5-3-11)31-19(21,22)23/h2-6,8-9,13,29H,7,10H2,1H3,(H,25,30)/t13-/m0/s1.
What are the key properties of N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 439.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 138634429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).