8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

C20H19FN6O — CID 135567108

IUPAC8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCN(CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1ccc(F)cc1
InChIInChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
InChIKeyNLGUSOLKPNWPKR-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.32
Rot. Bonds6

About 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 135567108) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID135567108
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCN(CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1ccc(F)cc1
InChIInChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
InChIKeyNLGUSOLKPNWPKR-UHFFFAOYSA-N
XLogP2.32
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

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CID 71288606
8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
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CID 463572
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8-[4-[2-[4-[3,5-Bis(Chloranyl)phenyl]piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
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CID 137175094
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CID 10647621
4-amino-N-[3-[[(4-methylphenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 135567108) is 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is CN(CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1ccc(F)cc1.
What is the InChIKey of 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NLGUSOLKPNWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28).
What are the key properties of 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 378.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135567108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).