azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate

C22H20N6O2 — CID 167366464

IUPACazetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(C(=O)OCC4CNC4)cc3n2)n1
InChIInChI=1S/C22H20N6O2/c1-13-3-2-4-19(26-13)21-16(11-25-28-21)17-5-6-18-20(27-17)7-15(10-24-18)22(29)30-12-14-8-23-9-14/h2-7,10-11,14,23H,8-9,12H2,1H3,(H,25,28)
InChIKeyOFOHNVXZBWMNDI-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.77
Rot. Bonds5

About azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate

azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate (PubChem CID 167366464) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameazetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
PubChem CID167366464
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Nameazetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(C(=O)OCC4CNC4)cc3n2)n1
InChIInChI=1S/C22H20N6O2/c1-13-3-2-4-19(26-13)21-16(11-25-28-21)17-5-6-18-20(27-17)7-15(10-24-18)22(29)30-12-14-8-23-9-14/h2-7,10-11,14,23H,8-9,12H2,1H3,(H,25,28)
InChIKeyOFOHNVXZBWMNDI-UHFFFAOYSA-N
XLogP2.77
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The IUPAC name of azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate (CID 167366464) is azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate is Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(C(=O)OCC4CNC4)cc3n2)n1.
What is the InChIKey of azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The InChIKey is OFOHNVXZBWMNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-13-3-2-4-19(26-13)21-16(11-25-28-21)17-5-6-18-20(27-17)7-15(10-24-18)22(29)30-12-14-8-23-9-14/h2-7,10-11,14,23H,8-9,12H2,1H3,(H,25,28).
What are the key properties of azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate?
azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 167366464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).