1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H18FN5O — CID 170503423

IUPAC1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2cnn(-c3cccc(F)c3)c2)c2cnn(CC3CC3)c2N1
InChIInChI=1S/C19H18FN5O/c20-14-2-1-3-15(6-14)24-11-13(8-21-24)16-7-18(26)23-19-17(16)9-22-25(19)10-12-4-5-12/h1-3,6,8-9,11-12,16H,4-5,7,10H2,(H,23,26)
InChIKeyOYVKPRHEFQAJGB-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.09
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 170503423) has the molecular formula C19H18FN5O and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID170503423
Molecular FormulaC19H18FN5O
Molecular Weight351.38 g/mol
Exact Mass351.15
IUPAC Name1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2cnn(-c3cccc(F)c3)c2)c2cnn(CC3CC3)c2N1
InChIInChI=1S/C19H18FN5O/c20-14-2-1-3-15(6-14)24-11-13(8-21-24)16-7-18(26)23-19-17(16)9-22-25(19)10-12-4-5-12/h1-3,6,8-9,11-12,16H,4-5,7,10H2,(H,23,26)
InChIKeyOYVKPRHEFQAJGB-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169416644
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CID 136899894
1-(cyclopropylmethyl)-4-(6-methoxy-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170502065
(4S)-1-(cyclohexylmethyl)-4-[3-(2-hydroxyethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697844
(4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-(3-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135894032
(4S)-4-(3-fluorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789583
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CID 171339549
4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634270
(4S)-4-(1-methylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899655
1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71842280
2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
CID 71842289
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 170503423) is 1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2cnn(-c3cccc(F)c3)c2)c2cnn(CC3CC3)c2N1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OYVKPRHEFQAJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-14-2-1-3-15(6-14)24-11-13(8-21-24)16-7-18(26)23-19-17(16)9-22-25(19)10-12-4-5-12/h1-3,6,8-9,11-12,16H,4-5,7,10H2,(H,23,26).
What are the key properties of 1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 351.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 170503423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).