tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate

C26H27ClF3N5O2 — CID 143313407

IUPACtert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C26H27ClF3N5O2/c1-25(2,3)37-24(36)33-18-9-12-35(13-10-18)21-15-32-22(16-4-6-17(7-5-16)26(28,29)30)23(34-21)19-8-11-31-14-20(19)27/h4-8,11,14-15,18H,9-10,12-13H2,1-3H3,(H,33,36)
InChIKeyAOTJADNEVQHWMK-UHFFFAOYSA-N
MW533.98 g/mol
LogP6.37
Rot. Bonds4

About tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate (PubChem CID 143313407) has the molecular formula C26H27ClF3N5O2 and a molecular weight of 533.98 g/mol. Its IUPAC name is tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate
PubChem CID143313407
Molecular FormulaC26H27ClF3N5O2
Molecular Weight533.98 g/mol
Exact Mass533.18
IUPAC Nametert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C26H27ClF3N5O2/c1-25(2,3)37-24(36)33-18-9-12-35(13-10-18)21-15-32-22(16-4-6-17(7-5-16)26(28,29)30)23(34-21)19-8-11-31-14-20(19)27/h4-8,11,14-15,18H,9-10,12-13H2,1-3H3,(H,33,36)
InChIKeyAOTJADNEVQHWMK-UHFFFAOYSA-N
XLogP6.37
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.98
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
Pyrazine-Pyridine Biheteroaryl 62
CID 5330393
1-(5-(4-Chlorophenyl)-6-(2-chloropyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576685
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-(5-(4-Chlorophenyl)-6-(pyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576684
5'-chloro-N6-(3-fluorobenzyl)-N2'-(piperidin-4-yl)-2,4'-bipyridine-2',6-diamine
CID 60142135
N-(trans-4-(5'-chloro-6-(3-fluorobenzylamino)-2,4'-bipyridin-2'-yl-amino)cyclohexyl)-2-(dimethylamino)acetamide
CID 66936913
Tert-butyl 4-(5'-chloro-6-(3-fluorobenzylamino)-2,4'-bipyridin-2'-yl-amino)piperidine-1-carboxylate
CID 66936988
1-((R)-3-((2'-(trans-4-aminocyclohexylamino)-5'-chloro-2,4'-bipyridin-6-yl-amino)methyl)piperidin-1-yl)ethanone
CID 66937036
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]pyridin-2-amine
CID 68405141
N-[[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methyl]-2-(dimethylamino)acetamide
CID 68405146

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate (CID 143313407) is tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate?
The InChIKey is AOTJADNEVQHWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF3N5O2/c1-25(2,3)37-24(36)33-18-9-12-35(13-10-18)21-15-32-22(16-4-6-17(7-5-16)26(28,29)30)23(34-21)19-8-11-31-14-20(19)27/h4-8,11,14-15,18H,9-10,12-13H2,1-3H3,(H,33,36).
What are the key properties of tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate has a molecular weight of 533.98 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 143313407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).