(8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C28H23ClF3N7O — CID 70225510

IUPAC(8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1nc(-c2nc3n(n2)CCC[C@H]3c2cc(-c3ccc(C(F)(F)F)cn3)ccc2Cl)ccc1-n1cnc(C)c1
InChIInChI=1S/C28H23ClF3N7O/c1-16-14-38(15-34-16)24-10-9-23(35-27(24)40-2)25-36-26-19(4-3-11-39(26)37-25)20-12-17(5-7-21(20)29)22-8-6-18(13-33-22)28(30,31)32/h5-10,12-15,19H,3-4,11H2,1-2H3/t19-/m0/s1
InChIKeyLKHBGRBLUJNKBK-IBGZPJMESA-N
MW565.99 g/mol
LogP6.50
Rot. Bonds5

About (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 70225510) has the molecular formula C28H23ClF3N7O and a molecular weight of 565.99 g/mol. Its IUPAC name is (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID70225510
Molecular FormulaC28H23ClF3N7O
Molecular Weight565.99 g/mol
Exact Mass565.16
IUPAC Name(8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1nc(-c2nc3n(n2)CCC[C@H]3c2cc(-c3ccc(C(F)(F)F)cn3)ccc2Cl)ccc1-n1cnc(C)c1
InChIInChI=1S/C28H23ClF3N7O/c1-16-14-38(15-34-16)24-10-9-23(35-27(24)40-2)25-36-26-19(4-3-11-39(26)37-25)20-12-17(5-7-21(20)29)22-8-6-18(13-33-22)28(30,31)32/h5-10,12-15,19H,3-4,11H2,1-2H3/t19-/m0/s1
InChIKeyLKHBGRBLUJNKBK-IBGZPJMESA-N
XLogP6.50
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.99
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 70225510) is (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(-c2nc3n(n2)CCC[C@H]3c2cc(-c3ccc(C(F)(F)F)cn3)ccc2Cl)ccc1-n1cnc(C)c1.
What is the InChIKey of (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LKHBGRBLUJNKBK-IBGZPJMESA-N. The full InChI is InChI=1S/C28H23ClF3N7O/c1-16-14-38(15-34-16)24-10-9-23(35-27(24)40-2)25-36-26-19(4-3-11-39(26)37-25)20-12-17(5-7-21(20)29)22-8-6-18(13-33-22)28(30,31)32/h5-10,12-15,19H,3-4,11H2,1-2H3/t19-/m0/s1.
What are the key properties of (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
(8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 565.99 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 70225510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).