3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one

C16H18N6O — CID 126947553

IUPAC3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cnn(C2CCN(c3nc4cnccc4c(=O)n3C)C2)c1
InChIInChI=1S/C16H18N6O/c1-11-7-18-22(9-11)12-4-6-21(10-12)16-19-14-8-17-5-3-13(14)15(23)20(16)2/h3,5,7-9,12H,4,6,10H2,1-2H3
InChIKeyDVZZJFDBSLGPID-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.28
Rot. Bonds2

About 3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one

3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 126947553) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID126947553
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cnn(C2CCN(c3nc4cnccc4c(=O)n3C)C2)c1
InChIInChI=1S/C16H18N6O/c1-11-7-18-22(9-11)12-4-6-21(10-12)16-19-14-8-17-5-3-13(14)15(23)20(16)2/h3,5,7-9,12H,4,6,10H2,1-2H3
InChIKeyDVZZJFDBSLGPID-UHFFFAOYSA-N
XLogP1.28
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947907
2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126890774
3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126945090
2-methyl-3-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947305
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947471
2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine
CID 126947485
2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one
CID 126947361
5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 146089222
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine
CID 126947503
2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126944196
3-methyl-2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126932274

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one (CID 126947553) is 3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one is Cc1cnn(C2CCN(c3nc4cnccc4c(=O)n3C)C2)c1.
What is the InChIKey of 3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is DVZZJFDBSLGPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-7-18-22(9-11)12-4-6-21(10-12)16-19-14-8-17-5-3-13(14)15(23)20(16)2/h3,5,7-9,12H,4,6,10H2,1-2H3.
What are the key properties of 3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one?
3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 310.36 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126947553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).