N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

C44H46F2N8O2 — CID 59452992

IUPACN-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCC(C)COc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIInChI=1S/C44H46F2N8O2/c1-29(2)28-56-38-27-33(53-24-18-32(19-25-53)52-21-5-3-6-22-52)15-16-36(38)48-44-47-20-17-37(49-44)42-40(50-39-14-4-7-23-54(39)42)30-10-8-11-31(26-30)43(55)51-41-34(45)12-9-13-35(41)46/h4,7-17,20,23,26-27,29,32H,3,5-6,18-19,21-22,24-25,28H2,1-2H3,(H,51,55)(H,47,48,49)
InChIKeySOVBQMACWWCHMA-UHFFFAOYSA-N
MW756.90 g/mol
LogP9.22
Rot. Bonds11

About N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 59452992) has the molecular formula C44H46F2N8O2 and a molecular weight of 756.90 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID59452992
Molecular FormulaC44H46F2N8O2
Molecular Weight756.90 g/mol
Exact Mass756.37
IUPAC NameN-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCC(C)COc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIInChI=1S/C44H46F2N8O2/c1-29(2)28-56-38-27-33(53-24-18-32(19-25-53)52-21-5-3-6-22-52)15-16-36(38)48-44-47-20-17-37(49-44)42-40(50-39-14-4-7-23-54(39)42)30-10-8-11-31(26-30)43(55)51-41-34(45)12-9-13-35(41)46/h4,7-17,20,23,26-27,29,32H,3,5-6,18-19,21-22,24-25,28H2,1-2H3,(H,51,55)(H,47,48,49)
InChIKeySOVBQMACWWCHMA-UHFFFAOYSA-N
XLogP9.22
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.90
LogP ≤ 59.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-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-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 59452992) is N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is CC(C)COc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is SOVBQMACWWCHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46F2N8O2/c1-29(2)28-56-38-27-33(53-24-18-32(19-25-53)52-21-5-3-6-22-52)15-16-36(38)48-44-47-20-17-37(49-44)42-40(50-39-14-4-7-23-54(39)42)30-10-8-11-31(26-30)43(55)51-41-34(45)12-9-13-35(41)46/h4,7-17,20,23,26-27,29,32H,3,5-6,18-19,21-22,24-25,28H2,1-2H3,(H,51,55)(H,47,48,49).
What are the key properties of N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 756.90 g/mol, XLogP of 9.22, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropoxy)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 59452992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).