N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide

C19H17F4N7O — CID 170774185

IUPACN-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(F)cc(N2CCNCC2)c1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C19H17F4N7O/c20-12-7-13(9-14(8-12)29-4-1-24-2-5-29)26-17(31)15-10-16(19(21,22)23)28-18(27-15)30-6-3-25-11-30/h3,6-11,24H,1-2,4-5H2,(H,26,31)
InChIKeyNBWDAPAXWMIQQX-UHFFFAOYSA-N
MW435.39 g/mol
LogP2.48
Rot. Bonds4

About N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide

N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 170774185) has the molecular formula C19H17F4N7O and a molecular weight of 435.39 g/mol. Its IUPAC name is N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID170774185
Molecular FormulaC19H17F4N7O
Molecular Weight435.39 g/mol
Exact Mass435.14
IUPAC NameN-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(F)cc(N2CCNCC2)c1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C19H17F4N7O/c20-12-7-13(9-14(8-12)29-4-1-24-2-5-29)26-17(31)15-10-16(19(21,22)23)28-18(27-15)30-6-3-25-11-30/h3,6-11,24H,1-2,4-5H2,(H,26,31)
InChIKeyNBWDAPAXWMIQQX-UHFFFAOYSA-N
XLogP2.48
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-[3-fluoro-5-[[2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]phenyl]piperazine-1-carboxylate
CID 170774214
2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774168
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774256
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride
CID 170774255
2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 166481353
6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005991
6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide
CID 170774245
4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 80837289
N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 100640945
2-chloro-4-fluoro-N-(4-piperazin-1-ylphenyl)benzamide;2,2,2-trifluoroacetic acid
CID 172895118
3-tert-butyl-N-(3-fluorophenyl)-5-piperazin-1-ylbenzamide
CID 70645858
3-(3-fluorophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628646

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 170774185) is N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide is O=C(Nc1cc(F)cc(N2CCNCC2)c1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1.
What is the InChIKey of N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is NBWDAPAXWMIQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N7O/c20-12-7-13(9-14(8-12)29-4-1-24-2-5-29)26-17(31)15-10-16(19(21,22)23)28-18(27-15)30-6-3-25-11-30/h3,6-11,24H,1-2,4-5H2,(H,26,31).
What are the key properties of N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 435.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170774185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).