N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide

C35H31F2N7O3 — CID 59452701

IUPACN-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCOc1ccn2c(-c3ccnc(Nc4cccc(OCCN(C)C)c4)n3)c(-c3cccc(C(=O)Nc4cccc(F)c4F)c3)nc2c1
InChIInChI=1S/C35H31F2N7O3/c1-43(2)17-18-47-26-10-5-9-24(20-26)39-35-38-15-13-29(41-35)33-32(42-30-21-25(46-3)14-16-44(30)33)22-7-4-8-23(19-22)34(45)40-28-12-6-11-27(36)31(28)37/h4-16,19-21H,17-18H2,1-3H3,(H,40,45)(H,38,39,41)
InChIKeyZAXBSULNHCUVKK-UHFFFAOYSA-N
MW635.68 g/mol
LogP6.68
Rot. Bonds11

About N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide

N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 59452701) has the molecular formula C35H31F2N7O3 and a molecular weight of 635.68 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID59452701
Molecular FormulaC35H31F2N7O3
Molecular Weight635.68 g/mol
Exact Mass635.25
IUPAC NameN-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCOc1ccn2c(-c3ccnc(Nc4cccc(OCCN(C)C)c4)n3)c(-c3cccc(C(=O)Nc4cccc(F)c4F)c3)nc2c1
InChIInChI=1S/C35H31F2N7O3/c1-43(2)17-18-47-26-10-5-9-24(20-26)39-35-38-15-13-29(41-35)33-32(42-30-21-25(46-3)14-16-44(30)33)22-7-4-8-23(19-22)34(45)40-28-12-6-11-27(36)31(28)37/h4-16,19-21H,17-18H2,1-3H3,(H,40,45)(H,38,39,41)
InChIKeyZAXBSULNHCUVKK-UHFFFAOYSA-N
XLogP6.68
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.68
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide (CID 59452701) is N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide is COc1ccn2c(-c3ccnc(Nc4cccc(OCCN(C)C)c4)n3)c(-c3cccc(C(=O)Nc4cccc(F)c4F)c3)nc2c1.
What is the InChIKey of N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is ZAXBSULNHCUVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31F2N7O3/c1-43(2)17-18-47-26-10-5-9-24(20-26)39-35-38-15-13-29(41-35)33-32(42-30-21-25(46-3)14-16-44(30)33)22-7-4-8-23(19-22)34(45)40-28-12-6-11-27(36)31(28)37/h4-16,19-21H,17-18H2,1-3H3,(H,40,45)(H,38,39,41).
What are the key properties of N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide?
N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 635.68 g/mol, XLogP of 6.68, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-3-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 59452701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).