4-[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,N-dimethylcyclohexan-1-amine

C25H32N6O — CID 138686534

IUPAC4-[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,N-dimethylcyclohexan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32N6O/c1-15(2)22-23(17-12-21(32-5)25-26-14-27-31(25)13-17)29-20-11-10-19(28-24(20)22)16-6-8-18(9-7-16)30(3)4/h10-16,18,29H,6-9H2,1-5H3
InChIKeyNULUBRRAWIYHOY-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.99
Rot. Bonds5

About 4-[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,N-dimethylcyclohexan-1-amine

4-[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,N-dimethylcyclohexan-1-amine (PubChem CID 138686534) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-[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,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[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,N-dimethylcyclohexan-1-amine
PubChem CID138686534
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name4-[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,N-dimethylcyclohexan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32N6O/c1-15(2)22-23(17-12-21(32-5)25-26-14-27-31(25)13-17)29-20-11-10-19(28-24(20)22)16-6-8-18(9-7-16)30(3)4/h10-16,18,29H,6-9H2,1-5H3
InChIKeyNULUBRRAWIYHOY-UHFFFAOYSA-N
XLogP4.99
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[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,N-dimethylcyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[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,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[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,N-dimethylcyclohexan-1-amine (CID 138686534) is 4-[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,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[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,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[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,N-dimethylcyclohexan-1-amine is COc1cc(-c2[nH]c3ccc(C4CCC(N(C)C)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 4-[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,N-dimethylcyclohexan-1-amine?
The InChIKey is NULUBRRAWIYHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-15(2)22-23(17-12-21(32-5)25-26-14-27-31(25)13-17)29-20-11-10-19(28-24(20)22)16-6-8-18(9-7-16)30(3)4/h10-16,18,29H,6-9H2,1-5H3.
What are the key properties of 4-[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,N-dimethylcyclohexan-1-amine?
4-[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,N-dimethylcyclohexan-1-amine has a molecular weight of 432.57 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[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,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 138686534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).