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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine

C28H33N7O — CID 138686220

IUPAC4-[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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine
SMILESCc1c(-c2[nH]c3ccc(C4CCC(NCc5cnco5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H33N7O/c1-16(2)25-26(22-13-35-28(31-14-32-35)18(4)17(22)3)34-24-10-9-23(33-27(24)25)19-5-7-20(8-6-19)30-12-21-11-29-15-36-21/h9-11,13-16,19-20,30,34H,5-8,12H2,1-4H3
InChIKeyUOFVKTKGQJDXNE-UHFFFAOYSA-N
MW483.62 g/mol
LogP5.82
Rot. Bonds6

About 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine

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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 138686220) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-[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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID138686220
Molecular FormulaC28H33N7O
Molecular Weight483.62 g/mol
Exact Mass483.27
IUPAC Name4-[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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine
SMILESCc1c(-c2[nH]c3ccc(C4CCC(NCc5cnco5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H33N7O/c1-16(2)25-26(22-13-35-28(31-14-32-35)18(4)17(22)3)34-24-10-9-23(33-27(24)25)19-5-7-20(8-6-19)30-12-21-11-29-15-36-21/h9-11,13-16,19-20,30,34H,5-8,12H2,1-4H3
InChIKeyUOFVKTKGQJDXNE-UHFFFAOYSA-N
XLogP5.82
TPSA96.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine (CID 138686220) is 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine is Cc1c(-c2[nH]c3ccc(C4CCC(NCc5cnco5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is UOFVKTKGQJDXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-16(2)25-26(22-13-35-28(31-14-32-35)18(4)17(22)3)34-24-10-9-23(33-27(24)25)19-5-7-20(8-6-19)30-12-21-11-29-15-36-21/h9-11,13-16,19-20,30,34H,5-8,12H2,1-4H3.
What are the key properties of 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine?
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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 483.62 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 138686220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).