4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine

C28H36N6O — CID 138686503

IUPAC4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCc1c(-c2[nH]c3ccc(C4CCC(N5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36N6O/c1-17(2)25-26(22-15-34-28(29-16-30-34)19(4)18(22)3)32-24-10-9-23(31-27(24)25)20-5-7-21(8-6-20)33-11-13-35-14-12-33/h9-10,15-17,20-21,32H,5-8,11-14H2,1-4H3
InChIKeySSMWWBUPOSACEY-UHFFFAOYSA-N
MW472.64 g/mol
LogP5.37
Rot. Bonds4

About 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine

4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine (PubChem CID 138686503) has the molecular formula C28H36N6O and a molecular weight of 472.64 g/mol. Its IUPAC name is 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine
PubChem CID138686503
Molecular FormulaC28H36N6O
Molecular Weight472.64 g/mol
Exact Mass472.30
IUPAC Name4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCc1c(-c2[nH]c3ccc(C4CCC(N5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36N6O/c1-17(2)25-26(22-15-34-28(29-16-30-34)19(4)18(22)3)32-24-10-9-23(31-27(24)25)20-5-7-21(8-6-20)33-11-13-35-14-12-33/h9-10,15-17,20-21,32H,5-8,11-14H2,1-4H3
InChIKeySSMWWBUPOSACEY-UHFFFAOYSA-N
XLogP5.37
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.64
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine?
The IUPAC name of 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine (CID 138686503) is 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine?
The canonical SMILES for 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine is Cc1c(-c2[nH]c3ccc(C4CCC(N5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine?
The InChIKey is SSMWWBUPOSACEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O/c1-17(2)25-26(22-15-34-28(29-16-30-34)19(4)18(22)3)32-24-10-9-23(31-27(24)25)20-5-7-21(8-6-20)33-11-13-35-14-12-33/h9-10,15-17,20-21,32H,5-8,11-14H2,1-4H3.
What are the key properties of 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine?
4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine has a molecular weight of 472.64 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]morpholine is sourced from PubChem (CID 138686503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).