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

C17H22FN7O — CID 138374315

IUPAC2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCCC2C(=O)N=C(N3CCN(Cc4ncc(F)cn4)CC3)N=C21
InChIInChI=1S/C17H22FN7O/c1-23-4-2-3-13-15(23)21-17(22-16(13)26)25-7-5-24(6-8-25)11-14-19-9-12(18)10-20-14/h9-10,13H,2-8,11H2,1H3
InChIKeyQVFHCTPQIAZZOX-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.37
Rot. Bonds2

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

2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 138374315) has the molecular formula C17H22FN7O and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID138374315
Molecular FormulaC17H22FN7O
Molecular Weight359.41 g/mol
Exact Mass359.19
IUPAC Name2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCCC2C(=O)N=C(N3CCN(Cc4ncc(F)cn4)CC3)N=C21
InChIInChI=1S/C17H22FN7O/c1-23-4-2-3-13-15(23)21-17(22-16(13)26)25-7-5-24(6-8-25)11-14-19-9-12(18)10-20-14/h9-10,13H,2-8,11H2,1H3
InChIKeyQVFHCTPQIAZZOX-UHFFFAOYSA-N
XLogP0.37
TPSA77.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13254321
1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentyl}-4,4-dimethyl-piperidine-2,6-dione
CID 44292776
US9624218, Example 5
CID 138374296
US9624218, Example 15
CID 138374301
US9624218, Example 16
CID 138374302
US9624218, Example 1
CID 138374292
US9624218, Example 14
CID 138374300
US9624218, Example 17
CID 138374303
US9624218, Example 18
CID 138374304
US9624218, Example 41
CID 138374317
1,3-Dimethyl-6-{3-[4-(pyrimidin-2-YL)piperazine-1-carbonyl]piperidin-1-YL}-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 53010397
2-[2-(Dimethylamino)ethyl]-9-[(2-isopropylpyrimidin-5-YL)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70715515

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (CID 138374315) is 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is CN1CCCC2C(=O)N=C(N3CCN(Cc4ncc(F)cn4)CC3)N=C21.
What is the InChIKey of 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is QVFHCTPQIAZZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN7O/c1-23-4-2-3-13-15(23)21-17(22-16(13)26)25-7-5-24(6-8-25)11-14-19-9-12(18)10-20-14/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 359.41 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138374315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).