N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide

C21H18F2N4O — CID 51352974

IUPACN-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)nc1)c1c(F)cccc1F
InChIInChI=1S/C21H18F2N4O/c22-15-2-1-3-16(23)20(15)21(28)25-14-8-9-19(24-11-14)27-18(13-6-7-13)10-17(26-27)12-4-5-12/h1-3,8-13H,4-7H2,(H,25,28)
InChIKeyMIRYJPWBSQQCAQ-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.55
Rot. Bonds5

About N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide

N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide (PubChem CID 51352974) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide
PubChem CID51352974
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)nc1)c1c(F)cccc1F
InChIInChI=1S/C21H18F2N4O/c22-15-2-1-3-16(23)20(15)21(28)25-14-8-9-19(24-11-14)27-18(13-6-7-13)10-17(26-27)12-4-5-12/h1-3,8-13H,4-7H2,(H,25,28)
InChIKeyMIRYJPWBSQQCAQ-UHFFFAOYSA-N
XLogP4.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide (CID 51352974) is N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide is O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)nc1)c1c(F)cccc1F.
What is the InChIKey of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is MIRYJPWBSQQCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c22-15-2-1-3-16(23)20(15)21(28)25-14-8-9-19(24-11-14)27-18(13-6-7-13)10-17(26-27)12-4-5-12/h1-3,8-13H,4-7H2,(H,25,28).
What are the key properties of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide?
N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 380.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 51352974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).