2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

C22H30FN5O2S — CID 110263230

IUPAC2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1nc(C2CCCCN2S(=O)(=O)N(C)C)nc2c1CCCN2Cc1ccc(F)cc1
InChIInChI=1S/C22H30FN5O2S/c1-16-19-7-6-13-27(15-17-9-11-18(23)12-10-17)22(19)25-21(24-16)20-8-4-5-14-28(20)31(29,30)26(2)3/h9-12,20H,4-8,13-15H2,1-3H3
InChIKeyVZHBYRPVLLNZER-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.21
Rot. Bonds5

About 2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 110263230) has the molecular formula C22H30FN5O2S and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID110263230
Molecular FormulaC22H30FN5O2S
Molecular Weight447.58 g/mol
Exact Mass447.21
IUPAC Name2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1nc(C2CCCCN2S(=O)(=O)N(C)C)nc2c1CCCN2Cc1ccc(F)cc1
InChIInChI=1S/C22H30FN5O2S/c1-16-19-7-6-13-27(15-17-9-11-18(23)12-10-17)22(19)25-21(24-16)20-8-4-5-14-28(20)31(29,30)26(2)3/h9-12,20H,4-8,13-15H2,1-3H3
InChIKeyVZHBYRPVLLNZER-UHFFFAOYSA-N
XLogP3.21
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 110263229
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 124967932
(1,3-dimethylpyrazol-4-yl)-[(2R)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95833014
[(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95833764
1-[(3R)-3-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92622415
1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 95833798
[2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110268597
1-[(3S)-3-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 92622457
[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 92623082
1-[2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 110263218
[(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 92622098
[(2S)-2-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92622599

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 110263230) is 2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is Cc1nc(C2CCCCN2S(=O)(=O)N(C)C)nc2c1CCCN2Cc1ccc(F)cc1.
What is the InChIKey of 2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is VZHBYRPVLLNZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2S/c1-16-19-7-6-13-27(15-17-9-11-18(23)12-10-17)22(19)25-21(24-16)20-8-4-5-14-28(20)31(29,30)26(2)3/h9-12,20H,4-8,13-15H2,1-3H3.
What are the key properties of 2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 447.58 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 110263230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).