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

C24H29FN6O — CID 138686642

IUPAC4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2nc3c(C(C)C)c(-c4cc(OC)c5ncnn5c4)[nH]c3cc2F)CC1
InChIInChI=1S/C24H29FN6O/c1-13(2)20-22(15-9-19(32-4)24-27-12-28-31(24)11-15)29-18-10-17(25)21(30-23(18)20)14-5-7-16(26-3)8-6-14/h9-14,16,26,29H,5-8H2,1-4H3
InChIKeyPDBRYQAKNRYTKQ-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.79
Rot. Bonds5

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

4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine (PubChem CID 138686642) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is 4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine
PubChem CID138686642
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2nc3c(C(C)C)c(-c4cc(OC)c5ncnn5c4)[nH]c3cc2F)CC1
InChIInChI=1S/C24H29FN6O/c1-13(2)20-22(15-9-19(32-4)24-27-12-28-31(24)11-15)29-18-10-17(25)21(30-23(18)20)14-5-7-16(26-3)8-6-14/h9-14,16,26,29H,5-8H2,1-4H3
InChIKeyPDBRYQAKNRYTKQ-UHFFFAOYSA-N
XLogP4.79
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-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 4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine (CID 138686642) is 4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine is CNC1CCC(c2nc3c(C(C)C)c(-c4cc(OC)c5ncnn5c4)[nH]c3cc2F)CC1.
What is the InChIKey of 4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine?
The InChIKey is PDBRYQAKNRYTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-13(2)20-22(15-9-19(32-4)24-27-12-28-31(24)11-15)29-18-10-17(25)21(30-23(18)20)14-5-7-16(26-3)8-6-14/h9-14,16,26,29H,5-8H2,1-4H3.
What are the key properties of 4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine?
4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine has a molecular weight of 436.54 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 138686642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).