(3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine

C28H36N6O2 — CID 135376047

IUPAC(3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCN(C[C@@H]5COCCN5)CC4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H36N6O2/c1-18(2)26-23-12-20(19-6-9-33(10-7-19)15-22-16-36-11-8-29-22)4-5-24(23)32-27(26)21-13-25(35-3)28-30-17-31-34(28)14-21/h4-5,12-14,17-19,22,29,32H,6-11,15-16H2,1-3H3/t22-/m1/s1
InChIKeyQLAFDHLPTBDDJV-JOCHJYFZSA-N
MW488.64 g/mol
LogP4.18
Rot. Bonds6

About (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine

(3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine (PubChem CID 135376047) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine
PubChem CID135376047
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name(3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCN(C[C@@H]5COCCN5)CC4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H36N6O2/c1-18(2)26-23-12-20(19-6-9-33(10-7-19)15-22-16-36-11-8-29-22)4-5-24(23)32-27(26)21-13-25(35-3)28-30-17-31-34(28)14-21/h4-5,12-14,17-19,22,29,32H,6-11,15-16H2,1-3H3/t22-/m1/s1
InChIKeyQLAFDHLPTBDDJV-JOCHJYFZSA-N
XLogP4.18
TPSA79.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine?
The IUPAC name of (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine (CID 135376047) is (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine.
What is the SMILES notation for (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine?
The canonical SMILES for (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine is COc1cc(-c2[nH]c3ccc(C4CCN(C[C@@H]5COCCN5)CC4)cc3c2C(C)C)cn2ncnc12.
What is the InChIKey of (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine?
The InChIKey is QLAFDHLPTBDDJV-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-18(2)26-23-12-20(19-6-9-33(10-7-19)15-22-16-36-11-8-29-22)4-5-24(23)32-27(26)21-13-25(35-3)28-30-17-31-34(28)14-21/h4-5,12-14,17-19,22,29,32H,6-11,15-16H2,1-3H3/t22-/m1/s1.
What are the key properties of (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine?
(3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine has a molecular weight of 488.64 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]morpholine is sourced from PubChem (CID 135376047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).