1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone

C23H28FN5O3 — CID 92625542

IUPAC1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone
SMILESCNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)COc1ccccc1F)CC2
InChIInChI=1S/C23H28FN5O3/c1-15(30)28-10-7-16(8-11-28)22-26-19-9-12-29(13-17(19)23(25-2)27-22)21(31)14-32-20-6-4-3-5-18(20)24/h3-6,16H,7-14H2,1-2H3,(H,25,26,27)
InChIKeyRZNGCBWJSHBRMB-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.35
Rot. Bonds5

About 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone

1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone (PubChem CID 92625542) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone
PubChem CID92625542
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone
SMILESCNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)COc1ccccc1F)CC2
InChIInChI=1S/C23H28FN5O3/c1-15(30)28-10-7-16(8-11-28)22-26-19-9-12-29(13-17(19)23(25-2)27-22)21(31)14-32-20-6-4-3-5-18(20)24/h3-6,16H,7-14H2,1-2H3,(H,25,26,27)
InChIKeyRZNGCBWJSHBRMB-UHFFFAOYSA-N
XLogP2.35
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone with MolForge

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Related Compounds

1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-phenoxyethanone
CID 92624909
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(4-fluorophenyl)propan-1-one
CID 92623088
(2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one
CID 95832528
3-(2-methoxyphenyl)-1-[4-(methylamino)-2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92624607
1-[4-[4-(methylamino)-6-(oxolane-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110262134
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
CID 110262306
1-[(3R)-3-[4-(methylamino)-6-(quinoline-8-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124970302
1-[2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 127251819
1-[(3R)-3-[4-(methylamino)-6-(2-phenylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95832291
1-[(2S)-2-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95840022
1-[(3R)-3-[4-(methylamino)-6-[(2-piperidin-1-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 125007493
N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone (CID 92625542) is 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone is CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)COc1ccccc1F)CC2.
What is the InChIKey of 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone?
The InChIKey is RZNGCBWJSHBRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-15(30)28-10-7-16(8-11-28)22-26-19-9-12-29(13-17(19)23(25-2)27-22)21(31)14-32-20-6-4-3-5-18(20)24/h3-6,16H,7-14H2,1-2H3,(H,25,26,27).
What are the key properties of 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone?
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone has a molecular weight of 441.51 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 92625542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).