2-[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]-4-propan-2-ylmorpholine

C25H32N6O — CID 138686799

IUPAC2-[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]-4-propan-2-ylmorpholine
SMILESCc1c(-c2[nH]c3ccc(C4CN(C(C)C)CCO4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C25H32N6O/c1-14(2)22-23(18-11-31-25(26-13-27-31)17(6)16(18)5)29-20-8-7-19(28-24(20)22)21-12-30(15(3)4)9-10-32-21/h7-8,11,13-15,21,29H,9-10,12H2,1-6H3
InChIKeyAOBRBQFRUQVLAF-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.79
Rot. Bonds4

About 2-[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]-4-propan-2-ylmorpholine

2-[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]-4-propan-2-ylmorpholine (PubChem CID 138686799) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[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]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[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]-4-propan-2-ylmorpholine
PubChem CID138686799
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name2-[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]-4-propan-2-ylmorpholine
SMILESCc1c(-c2[nH]c3ccc(C4CN(C(C)C)CCO4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C25H32N6O/c1-14(2)22-23(18-11-31-25(26-13-27-31)17(6)16(18)5)29-20-8-7-19(28-24(20)22)21-12-30(15(3)4)9-10-32-21/h7-8,11,13-15,21,29H,9-10,12H2,1-6H3
InChIKeyAOBRBQFRUQVLAF-UHFFFAOYSA-N
XLogP4.79
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[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]-4-propan-2-ylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[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]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[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]-4-propan-2-ylmorpholine (CID 138686799) is 2-[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]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[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]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[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]-4-propan-2-ylmorpholine is Cc1c(-c2[nH]c3ccc(C4CN(C(C)C)CCO4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 2-[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]-4-propan-2-ylmorpholine?
The InChIKey is AOBRBQFRUQVLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-14(2)22-23(18-11-31-25(26-13-27-31)17(6)16(18)5)29-20-8-7-19(28-24(20)22)21-12-30(15(3)4)9-10-32-21/h7-8,11,13-15,21,29H,9-10,12H2,1-6H3.
What are the key properties of 2-[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]-4-propan-2-ylmorpholine?
2-[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]-4-propan-2-ylmorpholine has a molecular weight of 432.57 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[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]-4-propan-2-ylmorpholine is sourced from PubChem (CID 138686799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).