6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

C21H17FN6O — CID 10318069

IUPAC6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccn3)n2)n2n1CCC2
InChIInChI=1S/C21H17FN6O/c22-15-7-5-14(6-8-15)18-19(27-12-3-13-28(27)20(18)29)16-9-11-24-21(25-16)26-17-4-1-2-10-23-17/h1-2,4-11H,3,12-13H2,(H,23,24,25,26)
InChIKeyVPDKNFFYTVLJND-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.46
Rot. Bonds4

About 6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (PubChem CID 10318069) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
PubChem CID10318069
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccn3)n2)n2n1CCC2
InChIInChI=1S/C21H17FN6O/c22-15-7-5-14(6-8-15)18-19(27-12-3-13-28(27)20(18)29)16-9-11-24-21(25-16)26-17-4-1-2-10-23-17/h1-2,4-11H,3,12-13H2,(H,23,24,25,26)
InChIKeyVPDKNFFYTVLJND-UHFFFAOYSA-N
XLogP3.46
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[5-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548376
4-(4-Fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-YL)-2-piperidin-4-YL-1,2-dihydro-3H-pyrazol-3-one
CID 5326958
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313
Takeda103A
CID 11155477
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
2-(2-aminopyrimidin-4-yl)-1-benzyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190899
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The IUPAC name of 6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (CID 10318069) is 6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.
What is the SMILES notation for 6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The canonical SMILES for 6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccn3)n2)n2n1CCC2.
What is the InChIKey of 6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The InChIKey is VPDKNFFYTVLJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c22-15-7-5-14(6-8-15)18-19(27-12-3-13-28(27)20(18)29)16-9-11-24-21(25-16)26-17-4-1-2-10-23-17/h1-2,4-11H,3,12-13H2,(H,23,24,25,26).
What are the key properties of 6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one has a molecular weight of 388.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-7-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is sourced from PubChem (CID 10318069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).