azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone

C22H19N5O — CID 118660778

IUPACazetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCC5)nc34)cc2)cn1
InChIInChI=1S/C22H19N5O/c1-26-14-18(12-24-26)15-3-5-16(6-4-15)19-13-23-11-17-7-8-20(25-21(17)19)22(28)27-9-2-10-27/h3-8,11-14H,2,9-10H2,1H3
InChIKeyKDZLCWBDQVILHC-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.54
Rot. Bonds3

About azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone

azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone (PubChem CID 118660778) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
PubChem CID118660778
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Nameazetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCC5)nc34)cc2)cn1
InChIInChI=1S/C22H19N5O/c1-26-14-18(12-24-26)15-3-5-16(6-4-15)19-13-23-11-17-7-8-20(25-21(17)19)22(28)27-9-2-10-27/h3-8,11-14H,2,9-10H2,1H3
InChIKeyKDZLCWBDQVILHC-UHFFFAOYSA-N
XLogP3.54
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone (CID 118660778) is azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone is Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCC5)nc34)cc2)cn1.
What is the InChIKey of azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
The InChIKey is KDZLCWBDQVILHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-26-14-18(12-24-26)15-3-5-16(6-4-15)19-13-23-11-17-7-8-20(25-21(17)19)22(28)27-9-2-10-27/h3-8,11-14H,2,9-10H2,1H3.
What are the key properties of azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone?
azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone is sourced from PubChem (CID 118660778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).