7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C25H33N7 — CID 138725736

IUPAC7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(N4CCNC(C(C)C)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C25H33N7/c1-14(2)20-12-31(10-9-26-20)21-8-7-19-24(30-21)22(15(3)4)23(29-19)18-11-32-25(27-13-28-32)17(6)16(18)5/h7-8,11,13-15,20,26,29H,9-10,12H2,1-6H3
InChIKeyCJEZACVSKQDAQB-UHFFFAOYSA-N
MW431.59 g/mol
LogP4.45
Rot. Bonds4

About 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138725736) has the molecular formula C25H33N7 and a molecular weight of 431.59 g/mol. Its IUPAC name is 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138725736
Molecular FormulaC25H33N7
Molecular Weight431.59 g/mol
Exact Mass431.28
IUPAC Name7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(N4CCNC(C(C)C)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C25H33N7/c1-14(2)20-12-31(10-9-26-20)21-8-7-19-24(30-21)22(15(3)4)23(29-19)18-11-32-25(27-13-28-32)17(6)16(18)5/h7-8,11,13-15,20,26,29H,9-10,12H2,1-6H3
InChIKeyCJEZACVSKQDAQB-UHFFFAOYSA-N
XLogP4.45
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

6-[5-(3,5-dimethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686960
6-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686249
N-cyclobutyl-1-[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-4-amine
CID 138686272
6-[5-[4-(2-methoxyethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138725485
6-[5-[(2S,5S)-2,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686504
6-[5-[(2R,6R)-2,6-dimethyl-4-propan-2-ylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138725734
7,8-dimethyl-6-[3-propan-2-yl-5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138725704
2-(dimethylamino)-1-[(2S)-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]-2-methylpiperazin-1-yl]ethanone
CID 138686306
6-[5-[(2S)-2-ethylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138687023
1-[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-methyl-N-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 138686625
N-[2-[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]piperazin-1-yl]ethyl]cyclopropanamine
CID 155226059
6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686353

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138725736) is 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3ccc(N4CCNC(C(C)C)C4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CJEZACVSKQDAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7/c1-14(2)20-12-31(10-9-26-20)21-8-7-19-24(30-21)22(15(3)4)23(29-19)18-11-32-25(27-13-28-32)17(6)16(18)5/h7-8,11,13-15,20,26,29H,9-10,12H2,1-6H3.
What are the key properties of 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 431.59 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138725736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).