7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H21FN4O — CID 135674430

IUPAC7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccccc1F)C2
InChIInChI=1S/C18H21FN4O/c19-15-6-2-1-5-13(15)11-22-10-7-14-16(12-22)20-18(21-17(14)24)23-8-3-4-9-23/h1-2,5-6H,3-4,7-12H2,(H,20,21,24)
InChIKeyIKQSDKCNLICJFM-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.07
Rot. Bonds3

About 7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135674430) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135674430
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccccc1F)C2
InChIInChI=1S/C18H21FN4O/c19-15-6-2-1-5-13(15)11-22-10-7-14-16(12-22)20-18(21-17(14)24)23-8-3-4-9-23/h1-2,5-6H,3-4,7-12H2,(H,20,21,24)
InChIKeyIKQSDKCNLICJFM-UHFFFAOYSA-N
XLogP2.07
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135674430) is 7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccccc1F)C2.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is IKQSDKCNLICJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-6-2-1-5-13(15)11-22-10-7-14-16(12-22)20-18(21-17(14)24)23-8-3-4-9-23/h1-2,5-6H,3-4,7-12H2,(H,20,21,24).
What are the key properties of 7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 328.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135674430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).