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

C20H20FN5O — CID 135916380

IUPAC2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CN(Cc1ncc(-c3ccc(F)cc3)[nH]1)CC2
InChIInChI=1S/C20H20FN5O/c21-14-5-3-12(4-6-14)17-9-22-18(23-17)11-26-8-7-16-15(10-26)20(27)25-19(24-16)13-1-2-13/h3-6,9,13H,1-2,7-8,10-11H2,(H,22,23)(H,24,25,27)
InChIKeyRGRLSENDDHRZDO-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.73
Rot. Bonds4

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

2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135916380) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135916380
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CN(Cc1ncc(-c3ccc(F)cc3)[nH]1)CC2
InChIInChI=1S/C20H20FN5O/c21-14-5-3-12(4-6-14)17-9-22-18(23-17)11-26-8-7-16-15(10-26)20(27)25-19(24-16)13-1-2-13/h3-6,9,13H,1-2,7-8,10-11H2,(H,22,23)(H,24,25,27)
InChIKeyRGRLSENDDHRZDO-UHFFFAOYSA-N
XLogP2.73
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945652
6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916382
2-cyclopropyl-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946792
2-cyclopropyl-6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945432
6-[(2-aminopyrimidin-5-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944972
6-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944532
2-cyclopropyl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944892
7-[(2-chloro-4-fluorophenyl)methyl]-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864217
2-cyclopropyl-6-(quinolin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861287
2-cyclopropyl-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946272
2-cyclopropyl-6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944112
2-cyclohexyl-6-[(6-phenyl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944455

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135916380) is 2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CC2)nc2c1CN(Cc1ncc(-c3ccc(F)cc3)[nH]1)CC2.
What is the InChIKey of 2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is RGRLSENDDHRZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-14-5-3-12(4-6-14)17-9-22-18(23-17)11-26-8-7-16-15(10-26)20(27)25-19(24-16)13-1-2-13/h3-6,9,13H,1-2,7-8,10-11H2,(H,22,23)(H,24,25,27).
What are the key properties of 2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 365.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135916380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).