N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide

C30H20F2N6O — CID 44529250

IUPACN-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccccc3)n2)c1)c1cc(F)ccc1F
InChIInChI=1S/C30H20F2N6O/c31-20-12-13-24(32)23(18-20)29(39)34-22-10-6-7-19(17-22)28-27(26-11-4-5-16-38(26)37-28)25-14-15-33-30(36-25)35-21-8-2-1-3-9-21/h1-18H,(H,34,39)(H,33,35,36)
InChIKeyGDLUCSANOUNVRR-UHFFFAOYSA-N
MW518.53 g/mol
LogP6.73
Rot. Bonds6

About N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide

N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide (PubChem CID 44529250) has the molecular formula C30H20F2N6O and a molecular weight of 518.53 g/mol. Its IUPAC name is N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide
PubChem CID44529250
Molecular FormulaC30H20F2N6O
Molecular Weight518.53 g/mol
Exact Mass518.17
IUPAC NameN-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccccc3)n2)c1)c1cc(F)ccc1F
InChIInChI=1S/C30H20F2N6O/c31-20-12-13-24(32)23(18-20)29(39)34-22-10-6-7-19(17-22)28-27(26-11-4-5-16-38(26)37-28)25-14-15-33-30(36-25)35-21-8-2-1-3-9-21/h1-18H,(H,34,39)(H,33,35,36)
InChIKeyGDLUCSANOUNVRR-UHFFFAOYSA-N
XLogP6.73
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.53
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide?
The IUPAC name of N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide (CID 44529250) is N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide is O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccccc3)n2)c1)c1cc(F)ccc1F.
What is the InChIKey of N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide?
The InChIKey is GDLUCSANOUNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F2N6O/c31-20-12-13-24(32)23(18-20)29(39)34-22-10-6-7-19(17-22)28-27(26-11-4-5-16-38(26)37-28)25-14-15-33-30(36-25)35-21-8-2-1-3-9-21/h1-18H,(H,34,39)(H,33,35,36).
What are the key properties of N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide?
N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide has a molecular weight of 518.53 g/mol, XLogP of 6.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide is sourced from PubChem (CID 44529250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).