N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C18H19FN4O — CID 170577851

IUPACN-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)cnn2-c1cccc(C(C)(C)CF)c1
InChIInChI=1S/C18H19FN4O/c1-12(24)22-17-8-16-13(9-20-17)10-21-23(16)15-6-4-5-14(7-15)18(2,3)11-19/h4-10H,11H2,1-3H3,(H,20,22,24)
InChIKeyURIVSLKYNZAMSW-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.63
Rot. Bonds4

About N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577851) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577851
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)cnn2-c1cccc(C(C)(C)CF)c1
InChIInChI=1S/C18H19FN4O/c1-12(24)22-17-8-16-13(9-20-17)10-21-23(16)15-6-4-5-14(7-15)18(2,3)11-19/h4-10H,11H2,1-3H3,(H,20,22,24)
InChIKeyURIVSLKYNZAMSW-UHFFFAOYSA-N
XLogP3.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577851) is N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)cnn2-c1cccc(C(C)(C)CF)c1.
What is the InChIKey of N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is URIVSLKYNZAMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-12(24)22-17-8-16-13(9-20-17)10-21-23(16)15-6-4-5-14(7-15)18(2,3)11-19/h4-10H,11H2,1-3H3,(H,20,22,24).
What are the key properties of N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 326.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).