N-ethyl-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]-N-methylcyclohexan-1-amine

C27H36N6O — CID 138686273

IUPACN-ethyl-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]-N-methylcyclohexan-1-amine
SMILESCCN(C)C1CCC(c2nc3c(C(C)C)c(-c4cc(OC)c5ncnn5c4)[nH]c3cc2C)CC1
InChIInChI=1S/C27H36N6O/c1-7-32(5)20-10-8-18(9-11-20)24-17(4)12-21-26(31-24)23(16(2)3)25(30-21)19-13-22(34-6)27-28-15-29-33(27)14-19/h12-16,18,20,30H,7-11H2,1-6H3
InChIKeyUUNSBEYOEIRBHS-UHFFFAOYSA-N
MW460.63 g/mol
LogP5.69
Rot. Bonds6

About N-ethyl-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]-N-methylcyclohexan-1-amine

N-ethyl-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]-N-methylcyclohexan-1-amine (PubChem CID 138686273) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is N-ethyl-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]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-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]-N-methylcyclohexan-1-amine
PubChem CID138686273
Molecular FormulaC27H36N6O
Molecular Weight460.63 g/mol
Exact Mass460.30
IUPAC NameN-ethyl-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]-N-methylcyclohexan-1-amine
SMILESCCN(C)C1CCC(c2nc3c(C(C)C)c(-c4cc(OC)c5ncnn5c4)[nH]c3cc2C)CC1
InChIInChI=1S/C27H36N6O/c1-7-32(5)20-10-8-18(9-11-20)24-17(4)12-21-26(31-24)23(16(2)3)25(30-21)19-13-22(34-6)27-28-15-29-33(27)14-19/h12-16,18,20,30H,7-11H2,1-6H3
InChIKeyUUNSBEYOEIRBHS-UHFFFAOYSA-N
XLogP5.69
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-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]-N-methylcyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-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]-N-methylcyclohexan-1-amine?
The IUPAC name of N-ethyl-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]-N-methylcyclohexan-1-amine (CID 138686273) is N-ethyl-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]-N-methylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-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]-N-methylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-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]-N-methylcyclohexan-1-amine is CCN(C)C1CCC(c2nc3c(C(C)C)c(-c4cc(OC)c5ncnn5c4)[nH]c3cc2C)CC1.
What is the InChIKey of N-ethyl-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]-N-methylcyclohexan-1-amine?
The InChIKey is UUNSBEYOEIRBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O/c1-7-32(5)20-10-8-18(9-11-20)24-17(4)12-21-26(31-24)23(16(2)3)25(30-21)19-13-22(34-6)27-28-15-29-33(27)14-19/h12-16,18,20,30H,7-11H2,1-6H3.
What are the key properties of N-ethyl-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]-N-methylcyclohexan-1-amine?
N-ethyl-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]-N-methylcyclohexan-1-amine has a molecular weight of 460.63 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-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]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 138686273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).