N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C28H22F3N5O — CID 71017479

IUPACN-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCN(C(=O)c1ccc(-c2cnc3ccc(-c4cnn(C)c4)cn23)cc1F)C1(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C28H22F3N5O/c1-34-15-19(13-33-34)18-4-8-26-32-14-25(36(26)16-18)17-3-6-21(23(30)11-17)27(37)35(2)28(9-10-28)20-5-7-22(29)24(31)12-20/h3-8,11-16H,9-10H2,1-2H3
InChIKeyAZXLDAGVRPMBLC-UHFFFAOYSA-N
MW501.51 g/mol
LogP5.58
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 71017479) has the molecular formula C28H22F3N5O and a molecular weight of 501.51 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID71017479
Molecular FormulaC28H22F3N5O
Molecular Weight501.51 g/mol
Exact Mass501.18
IUPAC NameN-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCN(C(=O)c1ccc(-c2cnc3ccc(-c4cnn(C)c4)cn23)cc1F)C1(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C28H22F3N5O/c1-34-15-19(13-33-34)18-4-8-26-32-14-25(36(26)16-18)17-3-6-21(23(30)11-17)27(37)35(2)28(9-10-28)20-5-7-22(29)24(31)12-20/h3-8,11-16H,9-10H2,1-2H3
InChIKeyAZXLDAGVRPMBLC-UHFFFAOYSA-N
XLogP5.58
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 71017479) is N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is CN(C(=O)c1ccc(-c2cnc3ccc(-c4cnn(C)c4)cn23)cc1F)C1(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is AZXLDAGVRPMBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N5O/c1-34-15-19(13-33-34)18-4-8-26-32-14-25(36(26)16-18)17-3-6-21(23(30)11-17)27(37)35(2)28(9-10-28)20-5-7-22(29)24(31)12-20/h3-8,11-16H,9-10H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 501.51 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 71017479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).