N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide

C31H30N8O2 — CID 134435467

IUPACN-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
SMILESCn1cnc(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)c1
InChIInChI=1S/C31H30N8O2/c1-31(36-30(40)22-6-4-3-5-7-22)10-12-38(13-11-31)28-9-8-23(16-33-28)27-14-26(41-20-25-18-37(2)21-34-25)19-39-29(27)24(15-32)17-35-39/h3-9,14,16-19,21H,10-13,20H2,1-2H3,(H,36,40)
InChIKeyZPLYETZGBKVVPA-UHFFFAOYSA-N
MW546.64 g/mol
LogP4.37
Rot. Bonds7

About N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide

N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide (PubChem CID 134435467) has the molecular formula C31H30N8O2 and a molecular weight of 546.64 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
PubChem CID134435467
Molecular FormulaC31H30N8O2
Molecular Weight546.64 g/mol
Exact Mass546.25
IUPAC NameN-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
SMILESCn1cnc(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)c1
InChIInChI=1S/C31H30N8O2/c1-31(36-30(40)22-6-4-3-5-7-22)10-12-38(13-11-31)28-9-8-23(16-33-28)27-14-26(41-20-25-18-37(2)21-34-25)19-39-29(27)24(15-32)17-35-39/h3-9,14,16-19,21H,10-13,20H2,1-2H3,(H,36,40)
InChIKeyZPLYETZGBKVVPA-UHFFFAOYSA-N
XLogP4.37
TPSA113.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.64
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide 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 N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The IUPAC name of N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide (CID 134435467) is N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide is Cn1cnc(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)c1.
What is the InChIKey of N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The InChIKey is ZPLYETZGBKVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N8O2/c1-31(36-30(40)22-6-4-3-5-7-22)10-12-38(13-11-31)28-9-8-23(16-33-28)27-14-26(41-20-25-18-37(2)21-34-25)19-39-29(27)24(15-32)17-35-39/h3-9,14,16-19,21H,10-13,20H2,1-2H3,(H,36,40).
What are the key properties of N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide has a molecular weight of 546.64 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide is sourced from PubChem (CID 134435467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).