3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C29H37N7 — CID 170066085

IUPAC3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1cc(-c2cnc3[nH]cc(-c4cnn(C5CCN(CC)CC5)c4)c3c2)cnc1N1CCCCC1
InChIInChI=1S/C29H37N7/c1-3-21-14-22(17-32-29(21)35-10-6-5-7-11-35)23-15-26-27(19-31-28(26)30-16-23)24-18-33-36(20-24)25-8-12-34(4-2)13-9-25/h14-20,25H,3-13H2,1-2H3,(H,30,31)
InChIKeySJVGFQKJHVRBRW-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.70
Rot. Bonds6

About 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170066085) has the molecular formula C29H37N7 and a molecular weight of 483.66 g/mol. Its IUPAC name is 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID170066085
Molecular FormulaC29H37N7
Molecular Weight483.66 g/mol
Exact Mass483.31
IUPAC Name3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1cc(-c2cnc3[nH]cc(-c4cnn(C5CCN(CC)CC5)c4)c3c2)cnc1N1CCCCC1
InChIInChI=1S/C29H37N7/c1-3-21-14-22(17-32-29(21)35-10-6-5-7-11-35)23-15-26-27(19-31-28(26)30-16-23)24-18-33-36(20-24)25-8-12-34(4-2)13-9-25/h14-20,25H,3-13H2,1-2H3,(H,30,31)
InChIKeySJVGFQKJHVRBRW-UHFFFAOYSA-N
XLogP5.70
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-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

2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
CID 170062795
1-[5-[3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-N,N-dimethylmethanamine
CID 170062809
1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-yl-3-pyridinyl]-N,N-dimethylmethanamine
CID 170062627
3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 90221198
4-ethyl-6-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 25165174
1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine
CID 170062394
4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine
CID 170062880
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[1-(1-methylsulfinylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 144647123
7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
CID 170062889
3-[4,6-dimethyl-5-(oxan-4-yl)-2-pyridinyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine
CID 167220353
2-[3,5-dimethyl-4-(oxan-3-yl)phenyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
CID 170062457
4-[5-[1-(benzenesulfonyl)-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-3-methyl-2-pyridinyl]morpholine
CID 170065512

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 170066085) is 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is CCc1cc(-c2cnc3[nH]cc(-c4cnn(C5CCN(CC)CC5)c4)c3c2)cnc1N1CCCCC1.
What is the InChIKey of 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SJVGFQKJHVRBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7/c1-3-21-14-22(17-32-29(21)35-10-6-5-7-11-35)23-15-26-27(19-31-28(26)30-16-23)24-18-33-36(20-24)25-8-12-34(4-2)13-9-25/h14-20,25H,3-13H2,1-2H3,(H,30,31).
What are the key properties of 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 483.66 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170066085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).