(8S)-8-(3-tert-butyl-4-methoxyphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C27H32N6O2 — CID 46891963

IUPAC(8S)-8-(3-tert-butyl-4-methoxyphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc([C@@H]2CCCn3nc(-c4ccc(-n5cnc(C)c5)c(OC)n4)nc32)cc1C(C)(C)C
InChIInChI=1S/C27H32N6O2/c1-17-15-32(16-28-17)22-11-10-21(29-26(22)35-6)24-30-25-19(8-7-13-33(25)31-24)18-9-12-23(34-5)20(14-18)27(2,3)4/h9-12,14-16,19H,7-8,13H2,1-6H3/t19-/m0/s1
InChIKeyFTKANTIARNBDPD-IBGZPJMESA-N
MW472.59 g/mol
LogP5.07
Rot. Bonds5

About (8S)-8-(3-tert-butyl-4-methoxyphenyl)-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-(3-tert-butyl-4-methoxyphenyl)-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 46891963) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is (8S)-8-(3-tert-butyl-4-methoxyphenyl)-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-(3-tert-butyl-4-methoxyphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID46891963
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name(8S)-8-(3-tert-butyl-4-methoxyphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc([C@@H]2CCCn3nc(-c4ccc(-n5cnc(C)c5)c(OC)n4)nc32)cc1C(C)(C)C
InChIInChI=1S/C27H32N6O2/c1-17-15-32(16-28-17)22-11-10-21(29-26(22)35-6)24-30-25-19(8-7-13-33(25)31-24)18-9-12-23(34-5)20(14-18)27(2,3)4/h9-12,14-16,19H,7-8,13H2,1-6H3/t19-/m0/s1
InChIKeyFTKANTIARNBDPD-IBGZPJMESA-N
XLogP5.07
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (8S)-8-(3-tert-butyl-4-methoxyphenyl)-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-(3-tert-butyl-4-methoxyphenyl)-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-(3-tert-butyl-4-methoxyphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 46891963) is (8S)-8-(3-tert-butyl-4-methoxyphenyl)-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-(3-tert-butyl-4-methoxyphenyl)-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-(3-tert-butyl-4-methoxyphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc([C@@H]2CCCn3nc(-c4ccc(-n5cnc(C)c5)c(OC)n4)nc32)cc1C(C)(C)C.
What is the InChIKey of (8S)-8-(3-tert-butyl-4-methoxyphenyl)-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 FTKANTIARNBDPD-IBGZPJMESA-N. The full InChI is InChI=1S/C27H32N6O2/c1-17-15-32(16-28-17)22-11-10-21(29-26(22)35-6)24-30-25-19(8-7-13-33(25)31-24)18-9-12-23(34-5)20(14-18)27(2,3)4/h9-12,14-16,19H,7-8,13H2,1-6H3/t19-/m0/s1.
What are the key properties of (8S)-8-(3-tert-butyl-4-methoxyphenyl)-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-(3-tert-butyl-4-methoxyphenyl)-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 472.59 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(3-tert-butyl-4-methoxyphenyl)-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 46891963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).