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

C34H25F2N7O2 — CID 44529283

IUPAC2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1cc(F)ccc1F
InChIInChI=1S/C34H25F2N7O2/c35-22-12-13-27(36)26(19-22)33(45)38-23-7-3-6-21(18-23)32-31(29-10-1-2-17-43(29)41-32)28-14-15-37-34(40-28)39-24-8-4-9-25(20-24)42-16-5-11-30(42)44/h1-4,6-10,12-15,17-20H,5,11,16H2,(H,38,45)(H,37,39,40)
InChIKeyVAHQIBUTTGILSZ-UHFFFAOYSA-N
MW601.62 g/mol
LogP6.86
Rot. Bonds7

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

2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide (PubChem CID 44529283) has the molecular formula C34H25F2N7O2 and a molecular weight of 601.62 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
PubChem CID44529283
Molecular FormulaC34H25F2N7O2
Molecular Weight601.62 g/mol
Exact Mass601.20
IUPAC Name2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1cc(F)ccc1F
InChIInChI=1S/C34H25F2N7O2/c35-22-12-13-27(36)26(19-22)33(45)38-23-7-3-6-21(18-23)32-31(29-10-1-2-17-43(29)41-32)28-14-15-37-34(40-28)39-24-8-4-9-25(20-24)42-16-5-11-30(42)44/h1-4,6-10,12-15,17-20H,5,11,16H2,(H,38,45)(H,37,39,40)
InChIKeyVAHQIBUTTGILSZ-UHFFFAOYSA-N
XLogP6.86
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.62
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 57340689
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CID 71283192

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide (CID 44529283) is 2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide is O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
The InChIKey is VAHQIBUTTGILSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F2N7O2/c35-22-12-13-27(36)26(19-22)33(45)38-23-7-3-6-21(18-23)32-31(29-10-1-2-17-43(29)41-32)28-14-15-37-34(40-28)39-24-8-4-9-25(20-24)42-16-5-11-30(42)44/h1-4,6-10,12-15,17-20H,5,11,16H2,(H,38,45)(H,37,39,40).
What are the key properties of 2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide?
2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide has a molecular weight of 601.62 g/mol, XLogP of 6.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 44529283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).