7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H28N6O2 — CID 135719613

IUPAC7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCn1ncc(C(=O)N2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)c1C
InChIInChI=1S/C20H28N6O2/c1-4-26-14(3)16(11-21-26)19(28)25-10-7-15-17(12-25)22-20(23-18(15)27)24-8-5-13(2)6-9-24/h11,13H,4-10,12H2,1-3H3,(H,22,23,27)
InChIKeyAOXNNIGZLLSMDM-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.73
Rot. Bonds3

About 7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135719613) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135719613
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCn1ncc(C(=O)N2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)c1C
InChIInChI=1S/C20H28N6O2/c1-4-26-14(3)16(11-21-26)19(28)25-10-7-15-17(12-25)22-20(23-18(15)27)24-8-5-13(2)6-9-24/h11,13H,4-10,12H2,1-3H3,(H,22,23,27)
InChIKeyAOXNNIGZLLSMDM-UHFFFAOYSA-N
XLogP1.73
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135719613) is 7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCn1ncc(C(=O)N2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)c1C.
What is the InChIKey of 7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is AOXNNIGZLLSMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-4-26-14(3)16(11-21-26)19(28)25-10-7-15-17(12-25)22-20(23-18(15)27)24-8-5-13(2)6-9-24/h11,13H,4-10,12H2,1-3H3,(H,22,23,27).
What are the key properties of 7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 384.48 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135719613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).