5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C21H28N6 — CID 143731748

IUPAC5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC/C(=C\CCN1CCN(C)CC1)c1cnc2[nH]cc(-c3cnn(C)c3)c2c1
InChIInChI=1S/C21H28N6/c1-16(5-4-6-27-9-7-25(2)8-10-27)17-11-19-20(14-23-21(19)22-12-17)18-13-24-26(3)15-18/h5,11-15H,4,6-10H2,1-3H3,(H,22,23)/b16-5+
InChIKeyXJFRXKZQTSUPGX-FZSIALSZSA-N
MW364.50 g/mol
LogP3.00
Rot. Bonds5

About 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143731748) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID143731748
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC/C(=C\CCN1CCN(C)CC1)c1cnc2[nH]cc(-c3cnn(C)c3)c2c1
InChIInChI=1S/C21H28N6/c1-16(5-4-6-27-9-7-25(2)8-10-27)17-11-19-20(14-23-21(19)22-12-17)18-13-24-26(3)15-18/h5,11-15H,4,6-10H2,1-3H3,(H,22,23)/b16-5+
InChIKeyXJFRXKZQTSUPGX-FZSIALSZSA-N
XLogP3.00
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 155794913
3-(1-methylpyrazol-4-yl)-5-[(E)-1-(2,2,3-trimethylcyclopropyl)but-1-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 70295130
5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238861
5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 25024004
2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol
CID 163534518
4-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 70648400
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731803
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717
5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238625
2-[4-(4-methylpiperazin-1-yl)phenyl]-7-[4-(1-methylpyrazol-4-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 146274382

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 143731748) is 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is C/C(=C\CCN1CCN(C)CC1)c1cnc2[nH]cc(-c3cnn(C)c3)c2c1.
What is the InChIKey of 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XJFRXKZQTSUPGX-FZSIALSZSA-N. The full InChI is InChI=1S/C21H28N6/c1-16(5-4-6-27-9-7-25(2)8-10-27)17-11-19-20(14-23-21(19)22-12-17)18-13-24-26(3)15-18/h5,11-15H,4,6-10H2,1-3H3,(H,22,23)/b16-5+.
What are the key properties of 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 364.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-5-(4-methylpiperazin-1-yl)pent-2-en-2-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143731748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).