2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one

C21H14FN5O2 — CID 136953345

IUPAC2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc3c(cnn3Cc3ccccc3F)c2)nc2cnccc12
InChIInChI=1S/C21H14FN5O2/c22-17-4-2-1-3-13(17)12-27-19-6-5-15(9-14(19)10-24-27)29-21-25-18-11-23-8-7-16(18)20(28)26-21/h1-11H,12H2,(H,25,26,28)
InChIKeyJPLNNJPSBIMNHH-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.65
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one

2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136953345) has the molecular formula C21H14FN5O2 and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136953345
Molecular FormulaC21H14FN5O2
Molecular Weight387.37 g/mol
Exact Mass387.11
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc3c(cnn3Cc3ccccc3F)c2)nc2cnccc12
InChIInChI=1S/C21H14FN5O2/c22-17-4-2-1-3-13(17)12-27-19-6-5-15(9-14(19)10-24-27)29-21-25-18-11-23-8-7-16(18)20(28)26-21/h1-11H,12H2,(H,25,26,28)
InChIKeyJPLNNJPSBIMNHH-UHFFFAOYSA-N
XLogP3.65
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002388
2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953353
2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002268
2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953306
2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953399
2-[(1-benzyl-2-methyl-3H-indazol-5-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 167068030
2-[(2-benzoyl-1,3-dihydroisoindol-5-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953408
2-[2-(4-iodobenzoyl)-1-methylindol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137014299
2-[4-[(3-methoxyphenyl)methyl]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 145046641
2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002340
2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136929843
2-[(3Z)-3-[(Z)-but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 163691894

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136953345) is 2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(Oc2ccc3c(cnn3Cc3ccccc3F)c2)nc2cnccc12.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JPLNNJPSBIMNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O2/c22-17-4-2-1-3-13(17)12-27-19-6-5-15(9-14(19)10-24-27)29-21-25-18-11-23-8-7-16(18)20(28)26-21/h1-11H,12H2,(H,25,26,28).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 387.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136953345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).