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

C24H30FN5O2 — CID 92623088

IUPAC1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(4-fluorophenyl)propan-1-one
SMILESCNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CCc1ccc(F)cc1)CC2
InChIInChI=1S/C24H30FN5O2/c1-16(31)29-12-9-18(10-13-29)23-27-21-11-14-30(15-20(21)24(26-2)28-23)22(32)8-5-17-3-6-19(25)7-4-17/h3-4,6-7,18H,5,8-15H2,1-2H3,(H,26,27,28)
InChIKeyQNAAORHKWWWIGJ-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.90
Rot. Bonds5

About 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

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 (PubChem CID 92623088) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 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]-3-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(4-fluorophenyl)propan-1-one
PubChem CID92623088
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(4-fluorophenyl)propan-1-one
SMILESCNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CCc1ccc(F)cc1)CC2
InChIInChI=1S/C24H30FN5O2/c1-16(31)29-12-9-18(10-13-29)23-27-21-11-14-30(15-20(21)24(26-2)28-23)22(32)8-5-17-3-6-19(25)7-4-17/h3-4,6-7,18H,5,8-15H2,1-2H3,(H,26,27,28)
InChIKeyQNAAORHKWWWIGJ-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 110268715
1-[(2R)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 92623055
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
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
2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 127251909
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-[4-(methylamino)-2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625258
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-[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-[4-(methoxymethyl)benzoyl]piperidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262335
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

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]-3-(4-fluorophenyl)propan-1-one?
The IUPAC name of 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) is 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.
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]-3-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 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 is CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CCc1ccc(F)cc1)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]-3-(4-fluorophenyl)propan-1-one?
The InChIKey is QNAAORHKWWWIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-16(31)29-12-9-18(10-13-29)23-27-21-11-14-30(15-20(21)24(26-2)28-23)22(32)8-5-17-3-6-19(25)7-4-17/h3-4,6-7,18H,5,8-15H2,1-2H3,(H,26,27,28).
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]-3-(4-fluorophenyl)propan-1-one?
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 has a molecular weight of 439.54 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]-3-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 92623088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).