2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone

C26H33N7O2 — CID 138686265

IUPAC2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone
SMILESCc1c(-c2[nH]c3ccc(C4CN(C(=O)CN(C)C)CCO4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C26H33N7O2/c1-15(2)23-24(18-11-33-26(27-14-28-33)17(4)16(18)3)30-20-8-7-19(29-25(20)23)21-12-32(9-10-35-21)22(34)13-31(5)6/h7-8,11,14-15,21,30H,9-10,12-13H2,1-6H3
InChIKeyJEDHPNXCKMDORP-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.47
Rot. Bonds5

About 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone

2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone (PubChem CID 138686265) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone
PubChem CID138686265
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone
SMILESCc1c(-c2[nH]c3ccc(C4CN(C(=O)CN(C)C)CCO4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C26H33N7O2/c1-15(2)23-24(18-11-33-26(27-14-28-33)17(4)16(18)3)30-20-8-7-19(29-25(20)23)21-12-32(9-10-35-21)22(34)13-31(5)6/h7-8,11,14-15,21,30H,9-10,12-13H2,1-6H3
InChIKeyJEDHPNXCKMDORP-UHFFFAOYSA-N
XLogP3.47
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone (CID 138686265) is 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone is Cc1c(-c2[nH]c3ccc(C4CN(C(=O)CN(C)C)CCO4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone?
The InChIKey is JEDHPNXCKMDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-15(2)23-24(18-11-33-26(27-14-28-33)17(4)16(18)3)30-20-8-7-19(29-25(20)23)21-12-32(9-10-35-21)22(34)13-31(5)6/h7-8,11,14-15,21,30H,9-10,12-13H2,1-6H3.
What are the key properties of 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone?
2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone has a molecular weight of 475.60 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[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]morpholin-4-yl]ethanone is sourced from PubChem (CID 138686265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).