3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one

C17H14Cl2N4O2S — CID 121193570

IUPAC3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=C(c1cc(Cl)sc1Cl)N1CCC(n2cnc3ncccc3c2=O)CC1
InChIInChI=1S/C17H14Cl2N4O2S/c18-13-8-12(14(19)26-13)16(24)22-6-3-10(4-7-22)23-9-21-15-11(17(23)25)2-1-5-20-15/h1-2,5,8-10H,3-4,6-7H2
InChIKeySRCVPLQUGUMZHK-UHFFFAOYSA-N
MW409.30 g/mol
LogP3.64
Rot. Bonds2

About 3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one

3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 121193570) has the molecular formula C17H14Cl2N4O2S and a molecular weight of 409.30 g/mol. Its IUPAC name is 3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID121193570
Molecular FormulaC17H14Cl2N4O2S
Molecular Weight409.30 g/mol
Exact Mass408.02
IUPAC Name3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=C(c1cc(Cl)sc1Cl)N1CCC(n2cnc3ncccc3c2=O)CC1
InChIInChI=1S/C17H14Cl2N4O2S/c18-13-8-12(14(19)26-13)16(24)22-6-3-10(4-7-22)23-9-21-15-11(17(23)25)2-1-5-20-15/h1-2,5,8-10H,3-4,6-7H2
InChIKeySRCVPLQUGUMZHK-UHFFFAOYSA-N
XLogP3.64
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-methoxyacetyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
CID 121021733
3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride
CID 154878953
3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
CID 119104587
[4-(1-chloroethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966408
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337
[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 103805040
[4-(1-bromoethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966411
3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
CID 138009536
(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119482772
(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
CID 103629624
3-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
CID 121021761
(2,5-dichlorothiophen-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856983

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one (CID 121193570) is 3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one is O=C(c1cc(Cl)sc1Cl)N1CCC(n2cnc3ncccc3c2=O)CC1.
What is the InChIKey of 3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is SRCVPLQUGUMZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2S/c18-13-8-12(14(19)26-13)16(24)22-6-3-10(4-7-22)23-9-21-15-11(17(23)25)2-1-5-20-15/h1-2,5,8-10H,3-4,6-7H2.
What are the key properties of 3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 409.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 121193570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).