1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one

C24H26N6O3 — CID 46952858

IUPAC1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCC(c3cc4nc(C)cc(=O)n4[nH]3)CC2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H26N6O3/c1-4-28-13-18(22(32)17-6-5-14(2)26-23(17)28)24(33)29-9-7-16(8-10-29)19-12-20-25-15(3)11-21(31)30(20)27-19/h5-6,11-13,16,27H,4,7-10H2,1-3H3
InChIKeyCZKSQMUAJOVGTD-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.39
Rot. Bonds3

About 1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one

1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one (PubChem CID 46952858) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one
PubChem CID46952858
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCC(c3cc4nc(C)cc(=O)n4[nH]3)CC2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H26N6O3/c1-4-28-13-18(22(32)17-6-5-14(2)26-23(17)28)24(33)29-9-7-16(8-10-29)19-12-20-25-15(3)11-21(31)30(20)27-19/h5-6,11-13,16,27H,4,7-10H2,1-3H3
InChIKeyCZKSQMUAJOVGTD-UHFFFAOYSA-N
XLogP2.39
TPSA105.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one (CID 46952858) is 1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CCC(c3cc4nc(C)cc(=O)n4[nH]3)CC2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one?
The InChIKey is CZKSQMUAJOVGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-4-28-13-18(22(32)17-6-5-14(2)26-23(17)28)24(33)29-9-7-16(8-10-29)19-12-20-25-15(3)11-21(31)30(20)27-19/h5-6,11-13,16,27H,4,7-10H2,1-3H3.
What are the key properties of 1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one?
1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one has a molecular weight of 446.51 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 46952858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).