3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

C23H25N5O3 — CID 158244499

IUPAC3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(-c2c(C)cnn2C)n2cnccc12
InChIInChI=1S/C23H25N5O3/c1-13-11-25-27(4)21(13)22-15(3)20(17-8-9-24-12-28(17)22)18(29)7-6-16-19(31-5)10-14(2)26-23(16)30/h8-12H,6-7H2,1-5H3,(H,26,30)
InChIKeyGFYLWYBLBKSWOA-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.17
Rot. Bonds6

About 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (PubChem CID 158244499) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
PubChem CID158244499
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(-c2c(C)cnn2C)n2cnccc12
InChIInChI=1S/C23H25N5O3/c1-13-11-25-27(4)21(13)22-15(3)20(17-8-9-24-12-28(17)22)18(29)7-6-16-19(31-5)10-14(2)26-23(16)30/h8-12H,6-7H2,1-5H3,(H,26,30)
InChIKeyGFYLWYBLBKSWOA-UHFFFAOYSA-N
XLogP3.17
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

3-[3-[8-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-7-methylpyrrolo[1,2-a]pyrazin-6-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 160520062
benzyl 4-[1-[5-[3-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoyl]-6-methylpyrrolo[1,2-b]pyridazin-7-yl]ethyl]piperidine-1-carboxylate;methane;4-methoxy-6-methyl-3-[3-[6-methyl-7-(1-piperidin-4-ylethyl)pyrrolo[1,2-b]pyridazin-5-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159127655
3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 157252166
3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 161395557
3,7-dichloro-6-(1,4-dimethylpyrazol-5-yl)-10-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 155278097
3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 148686072
4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159277315
4-methoxy-6-methyl-3-[3-[3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-6-(1H-pyrazol-4-yl)indol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 162033342
3-[3-[6-(6-amino-3-pyridinyl)-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 161115985
4-methoxy-6-methyl-3-[3-[3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 158337920
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
CID 137484842
4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159063050

Frequently Asked Questions

What is the IUPAC name of 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (CID 158244499) is 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)c(-c2c(C)cnn2C)n2cnccc12.
What is the InChIKey of 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The InChIKey is GFYLWYBLBKSWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-13-11-25-27(4)21(13)22-15(3)20(17-8-9-24-12-28(17)22)18(29)7-6-16-19(31-5)10-14(2)26-23(16)30/h8-12H,6-7H2,1-5H3,(H,26,30).
What are the key properties of 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one has a molecular weight of 419.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 158244499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).