8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C27H34N6O — CID 138686640

IUPAC8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N5CCCC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H34N6O/c1-17(2)24-25(19-14-23(34-3)27-28-16-29-33(27)15-19)31-22-11-10-21(30-26(22)24)18-6-8-20(9-7-18)32-12-4-5-13-32/h10-11,14-18,20,31H,4-9,12-13H2,1-3H3
InChIKeyJDGZEKNWRDRRRG-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.53
Rot. Bonds5

About 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686640) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686640
Molecular FormulaC27H34N6O
Molecular Weight458.61 g/mol
Exact Mass458.28
IUPAC Name8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N5CCCC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H34N6O/c1-17(2)24-25(19-14-23(34-3)27-28-16-29-33(27)15-19)31-22-11-10-21(30-26(22)24)18-6-8-20(9-7-18)32-12-4-5-13-32/h10-11,14-18,20,31H,4-9,12-13H2,1-3H3
InChIKeyJDGZEKNWRDRRRG-UHFFFAOYSA-N
XLogP5.53
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686640) is 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(C4CCC(N5CCCC5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JDGZEKNWRDRRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-17(2)24-25(19-14-23(34-3)27-28-16-29-33(27)15-19)31-22-11-10-21(30-26(22)24)18-6-8-20(9-7-18)32-12-4-5-13-32/h10-11,14-18,20,31H,4-9,12-13H2,1-3H3.
What are the key properties of 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 458.61 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[3-propan-2-yl-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).