8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one

C23H30N6O3S — CID 86290317

IUPAC8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(S(C)(=O)=O)nc2)cc2cnc(NCCC3CCN(C)CC3)nc21
InChIInChI=1S/C23H30N6O3S/c1-4-29-21-18(13-19(22(29)30)17-5-6-20(25-14-17)33(3,31)32)15-26-23(27-21)24-10-7-16-8-11-28(2)12-9-16/h5-6,13-16H,4,7-12H2,1-3H3,(H,24,26,27)
InChIKeyHKZDNAMLXATNGZ-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.42
Rot. Bonds7

About 8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 86290317) has the molecular formula C23H30N6O3S and a molecular weight of 470.60 g/mol. Its IUPAC name is 8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID86290317
Molecular FormulaC23H30N6O3S
Molecular Weight470.60 g/mol
Exact Mass470.21
IUPAC Name8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(S(C)(=O)=O)nc2)cc2cnc(NCCC3CCN(C)CC3)nc21
InChIInChI=1S/C23H30N6O3S/c1-4-29-21-18(13-19(22(29)30)17-5-6-20(25-14-17)33(3,31)32)15-26-23(27-21)24-10-7-16-8-11-28(2)12-9-16/h5-6,13-16H,4,7-12H2,1-3H3,(H,24,26,27)
InChIKeyHKZDNAMLXATNGZ-UHFFFAOYSA-N
XLogP2.42
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one (CID 86290317) is 8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(S(C)(=O)=O)nc2)cc2cnc(NCCC3CCN(C)CC3)nc21.
What is the InChIKey of 8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HKZDNAMLXATNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3S/c1-4-29-21-18(13-19(22(29)30)17-5-6-20(25-14-17)33(3,31)32)15-26-23(27-21)24-10-7-16-8-11-28(2)12-9-16/h5-6,13-16H,4,7-12H2,1-3H3,(H,24,26,27).
What are the key properties of 8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 470.60 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-6-(6-methylsulfonyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 86290317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).