[4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol

C23H26N6O2 — CID 165437036

IUPAC[4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol
SMILESCc1nnn(C)c1-c1cc(-c2cc(CO)cc3[nH]ccc23)nc(N2CCOCC2C)c1
InChIInChI=1S/C23H26N6O2/c1-14-13-31-7-6-29(14)22-11-17(23-15(2)26-27-28(23)3)10-21(25-22)19-8-16(12-30)9-20-18(19)4-5-24-20/h4-5,8-11,14,24,30H,6-7,12-13H2,1-3H3
InChIKeySUMPDLJQADRHKF-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.05
Rot. Bonds4

About [4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol

[4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol (PubChem CID 165437036) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is [4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol.

Molecular Properties

Compound Name[4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol
PubChem CID165437036
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name[4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol
SMILESCc1nnn(C)c1-c1cc(-c2cc(CO)cc3[nH]ccc23)nc(N2CCOCC2C)c1
InChIInChI=1S/C23H26N6O2/c1-14-13-31-7-6-29(14)22-11-17(23-15(2)26-27-28(23)3)10-21(25-22)19-8-16(12-30)9-20-18(19)4-5-24-20/h4-5,8-11,14,24,30H,6-7,12-13H2,1-3H3
InChIKeySUMPDLJQADRHKF-UHFFFAOYSA-N
XLogP3.05
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol?
The IUPAC name of [4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol (CID 165437036) is [4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol.
What is the SMILES notation for [4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol?
The canonical SMILES for [4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol is Cc1nnn(C)c1-c1cc(-c2cc(CO)cc3[nH]ccc23)nc(N2CCOCC2C)c1.
What is the InChIKey of [4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol?
The InChIKey is SUMPDLJQADRHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-14-13-31-7-6-29(14)22-11-17(23-15(2)26-27-28(23)3)10-21(25-22)19-8-16(12-30)9-20-18(19)4-5-24-20/h4-5,8-11,14,24,30H,6-7,12-13H2,1-3H3.
What are the key properties of [4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol?
[4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol has a molecular weight of 418.50 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]-1H-indol-6-yl]methanol is sourced from PubChem (CID 165437036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).