5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C23H32N6 — CID 25024004

IUPAC5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCCN(C2CCC(c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)CC2)CC1
InChIInChI=1S/C23H32N6/c1-27-8-3-9-29(11-10-27)20-6-4-17(5-7-20)18-12-21-22(15-25-23(21)24-13-18)19-14-26-28(2)16-19/h12-17,20H,3-11H2,1-2H3,(H,24,25)
InChIKeyUBYLXNTVDIQIHS-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.63
Rot. Bonds3

About 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 25024004) has the molecular formula C23H32N6 and a molecular weight of 392.55 g/mol. Its IUPAC name is 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID25024004
Molecular FormulaC23H32N6
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC Name5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCCN(C2CCC(c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)CC2)CC1
InChIInChI=1S/C23H32N6/c1-27-8-3-9-29(11-10-27)20-6-4-17(5-7-20)18-12-21-22(15-25-23(21)24-13-18)19-14-26-28(2)16-19/h12-17,20H,3-11H2,1-2H3,(H,24,25)
InChIKeyUBYLXNTVDIQIHS-UHFFFAOYSA-N
XLogP3.63
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 25024004) is 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is CN1CCCN(C2CCC(c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)CC2)CC1.
What is the InChIKey of 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UBYLXNTVDIQIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6/c1-27-8-3-9-29(11-10-27)20-6-4-17(5-7-20)18-12-21-22(15-25-23(21)24-13-18)19-14-26-28(2)16-19/h12-17,20H,3-11H2,1-2H3,(H,24,25).
What are the key properties of 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 392.55 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 25024004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).