[4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone

C26H20ClF3N6O — CID 143313261

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C26H20ClF3N6O/c27-20-15-31-10-8-19(20)24-23(17-4-6-18(7-5-17)26(28,29)30)33-16-22(34-24)35-11-13-36(14-12-35)25(37)21-3-1-2-9-32-21/h1-10,15-16H,11-14H2
InChIKeyVHNXLIFUEUISEZ-UHFFFAOYSA-N
MW524.93 g/mol
LogP5.24
Rot. Bonds4

About [4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone

[4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 143313261) has the molecular formula C26H20ClF3N6O and a molecular weight of 524.93 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID143313261
Molecular FormulaC26H20ClF3N6O
Molecular Weight524.93 g/mol
Exact Mass524.13
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C26H20ClF3N6O/c27-20-15-31-10-8-19(20)24-23(17-4-6-18(7-5-17)26(28,29)30)33-16-22(34-24)35-11-13-36(14-12-35)25(37)21-3-1-2-9-32-21/h1-10,15-16H,11-14H2
InChIKeyVHNXLIFUEUISEZ-UHFFFAOYSA-N
XLogP5.24
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.93
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470758
4-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)pyridine-2-carboxamide
CID 470763
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
2''-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901544
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576686
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 3839471
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 57394299
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 57396055
[4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71711914
[4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]phenyl]-(4-tert-butylpiperazin-1-yl)methanone
CID 71712055
[4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 89761255

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone (CID 143313261) is [4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is VHNXLIFUEUISEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N6O/c27-20-15-31-10-8-19(20)24-23(17-4-6-18(7-5-17)26(28,29)30)33-16-22(34-24)35-11-13-36(14-12-35)25(37)21-3-1-2-9-32-21/h1-10,15-16H,11-14H2.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
[4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 524.93 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 143313261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).