N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide

C19H18FN5O — CID 68512552

IUPACN-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3c2CCCC3)n1
InChIInChI=1S/C19H18FN5O/c1-12(26)22-19-21-10-9-15(23-19)17-16-4-2-3-11-25(16)24-18(17)13-5-7-14(20)8-6-13/h5-10H,2-4,11H2,1H3,(H,21,22,23,26)
InChIKeyJMYCXYYQSVYXKL-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.44
Rot. Bonds3

About N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide

N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide (PubChem CID 68512552) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide
PubChem CID68512552
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC NameN-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3c2CCCC3)n1
InChIInChI=1S/C19H18FN5O/c1-12(26)22-19-21-10-9-15(23-19)17-16-4-2-3-11-25(16)24-18(17)13-5-7-14(20)8-6-13/h5-10H,2-4,11H2,1H3,(H,21,22,23,26)
InChIKeyJMYCXYYQSVYXKL-UHFFFAOYSA-N
XLogP3.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine
CID 68515357
4-[2-(4-fluorophenyl)-5,5-dioxo-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-3-yl]-N-propan-2-ylpyrimidin-2-amine
CID 68511854
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 129017972
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-2-methylbutanamide
CID 129017983
4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine
CID 166068461
3-[3-[2-(2-methylpropylamino)pyrimidin-4-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]benzamide
CID 175031909
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide
CID 129017997
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 10274363
6-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122590020
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide
CID 90465258
N-[4-[5-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]acetamide
CID 167130345
7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 10279925

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide (CID 68512552) is N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide is CC(=O)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3c2CCCC3)n1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide?
The InChIKey is JMYCXYYQSVYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-12(26)22-19-21-10-9-15(23-19)17-16-4-2-3-11-25(16)24-18(17)13-5-7-14(20)8-6-13/h5-10H,2-4,11H2,1H3,(H,21,22,23,26).
What are the key properties of N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide?
N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide has a molecular weight of 351.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 68512552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).