N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H11F2N5O — CID 70496742

IUPACN-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccncc1-c1cccc(F)c1F)c1cnn2cccnc12
InChIInChI=1S/C18H11F2N5O/c19-14-4-1-3-11(16(14)20)12-9-21-7-5-15(12)24-18(26)13-10-23-25-8-2-6-22-17(13)25/h1-10H,(H,21,24,26)
InChIKeyVKWINBSOYCDDKJ-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.32
Rot. Bonds3

About N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70496742) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70496742
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccncc1-c1cccc(F)c1F)c1cnn2cccnc12
InChIInChI=1S/C18H11F2N5O/c19-14-4-1-3-11(16(14)20)12-9-21-7-5-15(12)24-18(26)13-10-23-25-8-2-6-22-17(13)25/h1-10H,(H,21,24,26)
InChIKeyVKWINBSOYCDDKJ-UHFFFAOYSA-N
XLogP3.32
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,3-dichlorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70498433
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414444
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414583
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414453
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140844597
N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056141
N-[5-[5-chloro-2-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162644073

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70496742) is N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccncc1-c1cccc(F)c1F)c1cnn2cccnc12.
What is the InChIKey of N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VKWINBSOYCDDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-14-4-1-3-11(16(14)20)12-9-21-7-5-15(12)24-18(26)13-10-23-25-8-2-6-22-17(13)25/h1-10H,(H,21,24,26).
What are the key properties of N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 351.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-difluorophenyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70496742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).