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

C24H31N7 — CID 138687023

IUPAC6-[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
SMILESCC[C@H]1CNCCN1c1ccc2[nH]c(-c3cn4ncnc4c(C)c3C)c(C(C)C)c2n1
InChIInChI=1S/C24H31N7/c1-6-17-11-25-9-10-30(17)20-8-7-19-23(29-20)21(14(2)3)22(28-19)18-12-31-24(26-13-27-31)16(5)15(18)4/h7-8,12-14,17,25,28H,6,9-11H2,1-5H3/t17-/m0/s1
InChIKeyKZIQMUABQSIZHE-KRWDZBQOSA-N
MW417.56 g/mol
LogP4.20
Rot. Bonds4

About 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

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 (PubChem CID 138687023) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID138687023
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name6-[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
SMILESCC[C@H]1CNCCN1c1ccc2[nH]c(-c3cn4ncnc4c(C)c3C)c(C(C)C)c2n1
InChIInChI=1S/C24H31N7/c1-6-17-11-25-9-10-30(17)20-8-7-19-23(29-20)21(14(2)3)22(28-19)18-12-31-24(26-13-27-31)16(5)15(18)4/h7-8,12-14,17,25,28H,6,9-11H2,1-5H3/t17-/m0/s1
InChIKeyKZIQMUABQSIZHE-KRWDZBQOSA-N
XLogP4.20
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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-[(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
3-(dimethylamino)-1-[(3S)-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]-3-methylpiperazin-1-yl]propan-1-one
CID 138686415
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
7,8-dimethyl-6-[5-[(1R,4R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138686357
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H]1CNCCN1c1ccc2[nH]c(-c3cn4ncnc4c(C)c3C)c(C(C)C)c2n1.
What is the InChIKey of 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?
The InChIKey is KZIQMUABQSIZHE-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31N7/c1-6-17-11-25-9-10-30(17)20-8-7-19-23(29-20)21(14(2)3)22(28-19)18-12-31-24(26-13-27-31)16(5)15(18)4/h7-8,12-14,17,25,28H,6,9-11H2,1-5H3/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 417.56 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138687023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).