N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine

C28H36N6O2 — CID 138686834

IUPACN-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine
SMILESCOc1cc(-c2[nH]c3cc(C)c(C4CCC(NC5CCOC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H36N6O2/c1-16(2)24-26(19-12-23(35-4)28-29-15-30-34(28)13-19)32-22-11-17(3)25(33-27(22)24)18-5-7-20(8-6-18)31-21-9-10-36-14-21/h11-13,15-16,18,20-21,31-32H,5-10,14H2,1-4H3
InChIKeyAQIYDITYTKEENA-UHFFFAOYSA-N
MW488.64 g/mol
LogP5.12
Rot. Bonds6

About N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine

N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine (PubChem CID 138686834) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine
PubChem CID138686834
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC NameN-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine
SMILESCOc1cc(-c2[nH]c3cc(C)c(C4CCC(NC5CCOC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H36N6O2/c1-16(2)24-26(19-12-23(35-4)28-29-15-30-34(28)13-19)32-22-11-17(3)25(33-27(22)24)18-5-7-20(8-6-18)31-21-9-10-36-14-21/h11-13,15-16,18,20-21,31-32H,5-10,14H2,1-4H3
InChIKeyAQIYDITYTKEENA-UHFFFAOYSA-N
XLogP5.12
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine?
The IUPAC name of N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine (CID 138686834) is N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine.
What is the SMILES notation for N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine?
The canonical SMILES for N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine is COc1cc(-c2[nH]c3cc(C)c(C4CCC(NC5CCOC5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine?
The InChIKey is AQIYDITYTKEENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-16(2)24-26(19-12-23(35-4)28-29-15-30-34(28)13-19)32-22-11-17(3)25(33-27(22)24)18-5-7-20(8-6-18)31-21-9-10-36-14-21/h11-13,15-16,18,20-21,31-32H,5-10,14H2,1-4H3.
What are the key properties of N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine?
N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine has a molecular weight of 488.64 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxolan-3-amine is sourced from PubChem (CID 138686834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).