N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

C41H41F2N7O3 — CID 59452723

IUPACN-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCOc1cc(C2CCN(CC(C)C)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIInChI=1S/C41H41F2N7O3/c1-25(2)24-49-20-16-26(17-21-49)27-11-13-32(35(23-27)53-4)45-41-44-18-15-33(46-41)39-37(47-36-10-5-6-19-50(36)39)28-12-14-34(52-3)29(22-28)40(51)48-38-30(42)8-7-9-31(38)43/h5-15,18-19,22-23,25-26H,16-17,20-21,24H2,1-4H3,(H,48,51)(H,44,45,46)
InChIKeyROZJGEVEJCWQQM-UHFFFAOYSA-N
MW717.82 g/mol
LogP8.59
Rot. Bonds11

About N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 59452723) has the molecular formula C41H41F2N7O3 and a molecular weight of 717.82 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID59452723
Molecular FormulaC41H41F2N7O3
Molecular Weight717.82 g/mol
Exact Mass717.32
IUPAC NameN-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCOc1cc(C2CCN(CC(C)C)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIInChI=1S/C41H41F2N7O3/c1-25(2)24-49-20-16-26(17-21-49)27-11-13-32(35(23-27)53-4)45-41-44-18-15-33(46-41)39-37(47-36-10-5-6-19-50(36)39)28-12-14-34(52-3)29(22-28)40(51)48-38-30(42)8-7-9-31(38)43/h5-15,18-19,22-23,25-26H,16-17,20-21,24H2,1-4H3,(H,48,51)(H,44,45,46)
InChIKeyROZJGEVEJCWQQM-UHFFFAOYSA-N
XLogP8.59
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.82
LogP ≤ 58.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 59452723) is N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is COc1cc(C2CCN(CC(C)C)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is ROZJGEVEJCWQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41F2N7O3/c1-25(2)24-49-20-16-26(17-21-49)27-11-13-32(35(23-27)53-4)45-41-44-18-15-33(46-41)39-37(47-36-10-5-6-19-50(36)39)28-12-14-34(52-3)29(22-28)40(51)48-38-30(42)8-7-9-31(38)43/h5-15,18-19,22-23,25-26H,16-17,20-21,24H2,1-4H3,(H,48,51)(H,44,45,46).
What are the key properties of N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 717.82 g/mol, XLogP of 8.59, 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)-2-methoxy-5-[3-[2-[2-methoxy-4-[1-(2-methylpropyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 59452723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).