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

C17H22FN7O — CID 136954088

IUPAC2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCCc2c1nc(N1CCN(Cc3ncc(F)cn3)CC1)[nH]c2=O
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/h9-10H,2-8,11H2,1H3,(H,21,22,26)
InChIKeyWTVLTJMRTHFMJP-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.40
Rot. Bonds3

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

2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 136954088) 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-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID136954088
Molecular FormulaC17H22FN7O
Molecular Weight359.41 g/mol
Exact Mass359.19
IUPAC Name2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCCc2c1nc(N1CCN(Cc3ncc(F)cn3)CC1)[nH]c2=O
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/h9-10H,2-8,11H2,1H3,(H,21,22,26)
InChIKeyWTVLTJMRTHFMJP-UHFFFAOYSA-N
XLogP0.40
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

US9624218, Example 5
CID 138374296
US9624218, Example 15
CID 138374301
US9624218, Example 39
CID 138374315
US9624218, Example 17
CID 138374303
8-Methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 136987026
8-Methyl-2-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 136987031
2-[4-[1-(5-Fluoropyrimidin-2-yl)ethyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 136987049
8-Methyl-2-[4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 137045870
N-[N-(1,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-C-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperazin-1-yl]carbonimidoyl]formamide
CID 173710651
7-[(2-Aminopyrimidin-5-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136680832
7-[[2-(Dimethylamino)pyrimidin-5-yl]methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719759
7-[[2-(Dimethylamino)pyrimidin-5-yl]methyl]-2-(3-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719787

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (CID 136954088) is 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-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-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is CN1CCCc2c1nc(N1CCN(Cc3ncc(F)cn3)CC1)[nH]c2=O.
What is the InChIKey of 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WTVLTJMRTHFMJP-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/h9-10H,2-8,11H2,1H3,(H,21,22,26).
What are the key properties of 2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
2-[4-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 359.41 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 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-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136954088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).