3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one

C21H16FN5O — CID 123792141

IUPAC3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1ccc(-c2ccc3c(c2)NNC3)cc1F
InChIInChI=1S/C21H16FN5O/c22-18-8-13(14-3-5-15-10-25-26-19(15)9-14)4-6-16(18)11-27-12-24-20-17(21(27)28)2-1-7-23-20/h1-9,12,25-26H,10-11H2
InChIKeyFXQOTAKEVDKAGO-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.08
Rot. Bonds3

About 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 123792141) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID123792141
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1ccc(-c2ccc3c(c2)NNC3)cc1F
InChIInChI=1S/C21H16FN5O/c22-18-8-13(14-3-5-15-10-25-26-19(15)9-14)4-6-16(18)11-27-12-24-20-17(21(27)28)2-1-7-23-20/h1-9,12,25-26H,10-11H2
InChIKeyFXQOTAKEVDKAGO-UHFFFAOYSA-N
XLogP3.08
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275669
3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275723
3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123427419
3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275710
3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275636
3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 154754059
3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
CID 39794219
3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one
CID 118940895
3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275764
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772163
3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 39754045

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 123792141) is 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1ccc(-c2ccc3c(c2)NNC3)cc1F.
What is the InChIKey of 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is FXQOTAKEVDKAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-18-8-13(14-3-5-15-10-25-26-19(15)9-14)4-6-16(18)11-27-12-24-20-17(21(27)28)2-1-7-23-20/h1-9,12,25-26H,10-11H2.
What are the key properties of 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 373.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 123792141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).