1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone

C23H30FN5O — CID 110262476

IUPAC1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCN1CCc2nc(C3CCCCN3C(=O)Cc3ccc(F)cc3)nc(N(C)C)c2C1
InChIInChI=1S/C23H30FN5O/c1-27(2)23-18-15-28(3)13-11-19(18)25-22(26-23)20-6-4-5-12-29(20)21(30)14-16-7-9-17(24)10-8-16/h7-10,20H,4-6,11-15H2,1-3H3
InChIKeyNNNIOJQXVXYJBS-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 110262476) has the molecular formula C23H30FN5O and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID110262476
Molecular FormulaC23H30FN5O
Molecular Weight411.53 g/mol
Exact Mass411.24
IUPAC Name1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCN1CCc2nc(C3CCCCN3C(=O)Cc3ccc(F)cc3)nc(N(C)C)c2C1
InChIInChI=1S/C23H30FN5O/c1-27(2)23-18-15-28(3)13-11-19(18)25-22(26-23)20-6-4-5-12-29(20)21(30)14-16-7-9-17(24)10-8-16/h7-10,20H,4-6,11-15H2,1-3H3
InChIKeyNNNIOJQXVXYJBS-UHFFFAOYSA-N
XLogP2.97
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 110262435
2-(4-fluorophenyl)-1-[(2R)-2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95836494
N-[[6-(dimethylamino)-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259598
1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124961091
1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95832445
1-[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 125013326
2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N,N,6-trimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 110262465
1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110240484
1-[(2S)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 92557746
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891985
7-butanoyl-2-[(2S)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892304
7-butanoyl-2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892305

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 110262476) is 1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone is CN1CCc2nc(C3CCCCN3C(=O)Cc3ccc(F)cc3)nc(N(C)C)c2C1.
What is the InChIKey of 1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is NNNIOJQXVXYJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O/c1-27(2)23-18-15-28(3)13-11-19(18)25-22(26-23)20-6-4-5-12-29(20)21(30)14-16-7-9-17(24)10-8-16/h7-10,20H,4-6,11-15H2,1-3H3.
What are the key properties of 1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 411.53 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110262476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).