2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

C32H36FN5O3 — CID 25217008

IUPAC2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ncc(-c4cc(CN5CCC(C)CC5)ccc4F)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C32H36FN5O3/c1-20(2)35-29(39)19-38-31(23-6-5-7-25(15-23)41-4)36-30-27(32(38)40)16-24(17-34-30)26-14-22(8-9-28(26)33)18-37-12-10-21(3)11-13-37/h5-9,14-17,20-21H,10-13,18-19H2,1-4H3,(H,35,39)
InChIKeyKBHNBVUAZAIEIX-UHFFFAOYSA-N
MW557.67 g/mol
LogP5.03
Rot. Bonds8

About 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 25217008) has the molecular formula C32H36FN5O3 and a molecular weight of 557.67 g/mol. Its IUPAC name is 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
PubChem CID25217008
Molecular FormulaC32H36FN5O3
Molecular Weight557.67 g/mol
Exact Mass557.28
IUPAC Name2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ncc(-c4cc(CN5CCC(C)CC5)ccc4F)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C32H36FN5O3/c1-20(2)35-29(39)19-38-31(23-6-5-7-25(15-23)41-4)36-30-27(32(38)40)16-24(17-34-30)26-14-22(8-9-28(26)33)18-37-12-10-21(3)11-13-37/h5-9,14-17,20-21H,10-13,18-19H2,1-4H3,(H,35,39)
InChIKeyKBHNBVUAZAIEIX-UHFFFAOYSA-N
XLogP5.03
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.67
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

Nbi-74330
CID 45784923
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
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(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(1-isopropylpiperidin-4-yl)acetamide
CID 46883308
5-[(4-Fluoranyl-3-Phenoxy-Phenyl)methylamino]-~{n}-Methyl-6-[(1-Pyridin-2-Ylpiperidin-4-Yl)amino]pyridine-3-Carboxamide
CID 122391194
N-Benzyl-6-[(3-Endo)-3-{[(3-Methoxy-2-Methylphenyl)carbonyl]amino}-8-Azabicyclo[3.2.1]oct-8-Yl]pyridine-3-Carboxamide
CID 60147025
rac-NBI-74330
CID 10167713
n-Isopropyl-1-[3-(3-ethoxyphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10274114
6-amino-N-(1-((2,6-diethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)nicotinamide
CID 49862929
N-(1-((2,6-diethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)-6-(methylamino)nicotinamide
CID 49862961
6-amino-N-(1-((2-(benzyloxy)-6-ethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)nicotinamide
CID 49862962
2-(6-(5-((dimethylamino)methyl)pyridin-3-yl)-2-(3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
CID 54582808
2-(6-(4-((dimethylamino)methyl)pyridin-2-yl)-2-(3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
CID 54586699

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (CID 25217008) is 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is COc1cccc(-c2nc3ncc(-c4cc(CN5CCC(C)CC5)ccc4F)cc3c(=O)n2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is KBHNBVUAZAIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN5O3/c1-20(2)35-29(39)19-38-31(23-6-5-7-25(15-23)41-4)36-30-27(32(38)40)16-24(17-34-30)26-14-22(8-9-28(26)33)18-37-12-10-21(3)11-13-37/h5-9,14-17,20-21H,10-13,18-19H2,1-4H3,(H,35,39).
What are the key properties of 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 557.67 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25217008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).