4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine

C26H32N8O — CID 137040605

IUPAC4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESCN1CCN(c2cncc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)cc23)CC1
InChIInChI=1S/C26H32N8O/c1-32-6-8-34(9-7-32)26-18-28-17-25-21(26)13-23(29-25)24-14-22(30-31-24)19-12-20(16-27-15-19)35-11-10-33-4-2-3-5-33/h12-18,29H,2-11H2,1H3,(H,30,31)
InChIKeyAETFCXPSXLGUNJ-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.24
Rot. Bonds7

About 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine

4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine (PubChem CID 137040605) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine
PubChem CID137040605
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESCN1CCN(c2cncc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)cc23)CC1
InChIInChI=1S/C26H32N8O/c1-32-6-8-34(9-7-32)26-18-28-17-25-21(26)13-23(29-25)24-14-22(30-31-24)19-12-20(16-27-15-19)35-11-10-33-4-2-3-5-33/h12-18,29H,2-11H2,1H3,(H,30,31)
InChIKeyAETFCXPSXLGUNJ-UHFFFAOYSA-N
XLogP3.24
TPSA89.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]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

2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137040058
4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 137109029
4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
CID 137114557
N,N-dimethyl-2-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137116507
2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole
CID 137113693
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137364650
1-[5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137311409
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137112049
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
CID 137087816
5-(5-methoxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033318
2-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137364829
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137280598

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine (CID 137040605) is 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine is CN1CCN(c2cncc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is AETFCXPSXLGUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-32-6-8-34(9-7-32)26-18-28-17-25-21(26)13-23(29-25)24-14-22(30-31-24)19-12-20(16-27-15-19)35-11-10-33-4-2-3-5-33/h12-18,29H,2-11H2,1H3,(H,30,31).
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine?
4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 472.60 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 137040605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).