1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide

C25H24N8O — CID 138587454

IUPAC1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide
SMILESCN1CCC(n2cc(C(=O)Nc3cc4cc(-c5cnc6[nH]ccc6c5)ccc4nn3)cn2)CC1
InChIInChI=1S/C25H24N8O/c1-32-8-5-21(6-9-32)33-15-20(14-28-33)25(34)29-23-12-18-10-16(2-3-22(18)30-31-23)19-11-17-4-7-26-24(17)27-13-19/h2-4,7,10-15,21H,5-6,8-9H2,1H3,(H,26,27)(H,29,31,34)
InChIKeyDTSHDJNZVCPXFA-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.89
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide

1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide (PubChem CID 138587454) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide
PubChem CID138587454
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide
SMILESCN1CCC(n2cc(C(=O)Nc3cc4cc(-c5cnc6[nH]ccc6c5)ccc4nn3)cn2)CC1
InChIInChI=1S/C25H24N8O/c1-32-8-5-21(6-9-32)33-15-20(14-28-33)25(34)29-23-12-18-10-16(2-3-22(18)30-31-23)19-11-17-4-7-26-24(17)27-13-19/h2-4,7,10-15,21H,5-6,8-9H2,1H3,(H,26,27)(H,29,31,34)
InChIKeyDTSHDJNZVCPXFA-UHFFFAOYSA-N
XLogP3.89
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide 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 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide (CID 138587454) is 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide is CN1CCC(n2cc(C(=O)Nc3cc4cc(-c5cnc6[nH]ccc6c5)ccc4nn3)cn2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide?
The InChIKey is DTSHDJNZVCPXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-32-8-5-21(6-9-32)33-15-20(14-28-33)25(34)29-23-12-18-10-16(2-3-22(18)30-31-23)19-11-17-4-7-26-24(17)27-13-19/h2-4,7,10-15,21H,5-6,8-9H2,1H3,(H,26,27)(H,29,31,34).
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide?
1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 138587454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).