[3-[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]cyclobutyl]urea

C23H27N7O — CID 166008783

IUPAC[3-[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]cyclobutyl]urea
SMILESCc1c(-c2[nH]c3ccc(C4CC(NC(N)=O)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C23H27N7O/c1-11(2)19-20(16-9-30-22(25-10-26-30)13(4)12(16)3)29-18-6-5-17(28-21(18)19)14-7-15(8-14)27-23(24)31/h5-6,9-11,14-15,29H,7-8H2,1-4H3,(H3,24,27,31)
InChIKeyFDMLHROAIOEUDV-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.93
Rot. Bonds4

About [3-[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]cyclobutyl]urea

[3-[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]cyclobutyl]urea (PubChem CID 166008783) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is [3-[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]cyclobutyl]urea.

Molecular Properties

Compound Name[3-[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]cyclobutyl]urea
PubChem CID166008783
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name[3-[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]cyclobutyl]urea
SMILESCc1c(-c2[nH]c3ccc(C4CC(NC(N)=O)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C23H27N7O/c1-11(2)19-20(16-9-30-22(25-10-26-30)13(4)12(16)3)29-18-6-5-17(28-21(18)19)14-7-15(8-14)27-23(24)31/h5-6,9-11,14-15,29H,7-8H2,1-4H3,(H3,24,27,31)
InChIKeyFDMLHROAIOEUDV-UHFFFAOYSA-N
XLogP3.93
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-[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]cyclobutyl]urea with MolForge

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Related Compounds

3-[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-(2-methylsulfonylethyl)cyclobutan-1-amine
CID 138686377
N-[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]cyclohexyl]-N-methylacetamide
CID 138686257
2-(dimethylamino)-1-[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]piperidin-1-yl]ethanone
CID 138686986
1-[[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]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide
CID 138687032
N-[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]cyclohexyl]thiolan-3-amine
CID 155226031
3-[[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]cyclohexyl]amino]propanenitrile
CID 138686610
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]-1-(nitromethyl)cyclohexan-1-ol
CID 138686926
2-[(2R,4S)-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]amino]-2-methylpyrrolidin-1-yl]acetamide
CID 156566278
6-[5-[4-(3-methoxyazetidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686873
7,8-dimethyl-6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138686650
1-[[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 148671431
3-[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]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
CID 155753197

Frequently Asked Questions

What is the IUPAC name of [3-[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]cyclobutyl]urea?
The IUPAC name of [3-[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]cyclobutyl]urea (CID 166008783) is [3-[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]cyclobutyl]urea.
What is the SMILES notation for [3-[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]cyclobutyl]urea?
The canonical SMILES for [3-[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]cyclobutyl]urea is Cc1c(-c2[nH]c3ccc(C4CC(NC(N)=O)C4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of [3-[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]cyclobutyl]urea?
The InChIKey is FDMLHROAIOEUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-11(2)19-20(16-9-30-22(25-10-26-30)13(4)12(16)3)29-18-6-5-17(28-21(18)19)14-7-15(8-14)27-23(24)31/h5-6,9-11,14-15,29H,7-8H2,1-4H3,(H3,24,27,31).
What are the key properties of [3-[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]cyclobutyl]urea?
[3-[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]cyclobutyl]urea has a molecular weight of 417.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[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]cyclobutyl]urea is sourced from PubChem (CID 166008783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).