3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one

C23H29N5O2 — CID 90495193

IUPAC3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCC(Cn3nc(C)cc3C)CC2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C23H29N5O2/c1-5-26-14-20(21(29)19-7-6-15(2)24-22(19)26)23(30)27-10-8-18(9-11-27)13-28-17(4)12-16(3)25-28/h6-7,12,14,18H,5,8-11,13H2,1-4H3
InChIKeyGUVCUHXRMYMKCL-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.09
Rot. Bonds4

About 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one

3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one (PubChem CID 90495193) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
PubChem CID90495193
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCC(Cn3nc(C)cc3C)CC2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C23H29N5O2/c1-5-26-14-20(21(29)19-7-6-15(2)24-22(19)26)23(30)27-10-8-18(9-11-27)13-28-17(4)12-16(3)25-28/h6-7,12,14,18H,5,8-11,13H2,1-4H3
InChIKeyGUVCUHXRMYMKCL-UHFFFAOYSA-N
XLogP3.09
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one (CID 90495193) is 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CCC(Cn3nc(C)cc3C)CC2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is GUVCUHXRMYMKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-5-26-14-20(21(29)19-7-6-15(2)24-22(19)26)23(30)27-10-8-18(9-11-27)13-28-17(4)12-16(3)25-28/h6-7,12,14,18H,5,8-11,13H2,1-4H3.
What are the key properties of 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 407.52 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 90495193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).