2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide

C30H20F2N6O2 — CID 59513723

IUPAC2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(O)c3)n2)c1)c1c(F)cccc1F
InChIInChI=1S/C30H20F2N6O2/c31-22-10-5-11-23(32)26(22)29(40)34-19-7-3-6-18(16-19)28-27(25-12-1-2-15-38(25)37-28)24-13-14-33-30(36-24)35-20-8-4-9-21(39)17-20/h1-17,39H,(H,34,40)(H,33,35,36)
InChIKeyCOGNEHIFRNAQTB-UHFFFAOYSA-N
MW534.53 g/mol
LogP6.44
Rot. Bonds6

About 2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide

2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide (PubChem CID 59513723) has the molecular formula C30H20F2N6O2 and a molecular weight of 534.53 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
PubChem CID59513723
Molecular FormulaC30H20F2N6O2
Molecular Weight534.53 g/mol
Exact Mass534.16
IUPAC Name2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(O)c3)n2)c1)c1c(F)cccc1F
InChIInChI=1S/C30H20F2N6O2/c31-22-10-5-11-23(32)26(22)29(40)34-19-7-3-6-18(16-19)28-27(25-12-1-2-15-38(25)37-28)24-13-14-33-30(36-24)35-20-8-4-9-21(39)17-20/h1-17,39H,(H,34,40)(H,33,35,36)
InChIKeyCOGNEHIFRNAQTB-UHFFFAOYSA-N
XLogP6.44
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.53
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide (CID 59513723) is 2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide is O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(O)c3)n2)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The InChIKey is COGNEHIFRNAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F2N6O2/c31-22-10-5-11-23(32)26(22)29(40)34-19-7-3-6-18(16-19)28-27(25-12-1-2-15-38(25)37-28)24-13-14-33-30(36-24)35-20-8-4-9-21(39)17-20/h1-17,39H,(H,34,40)(H,33,35,36).
What are the key properties of 2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide has a molecular weight of 534.53 g/mol, XLogP of 6.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-[3-[2-(3-hydroxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 59513723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).