5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine

C19H18N8O2S — CID 145214898

IUPAC5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine
SMILESCc1c(S(=O)(=O)C2CNC2)ccc(-c2ccnc3nc(N)ccc23)c1-c1nn[nH]n1
InChIInChI=1S/C19H18N8O2S/c1-10-15(30(28,29)11-8-21-9-11)4-2-13(17(10)19-24-26-27-25-19)12-6-7-22-18-14(12)3-5-16(20)23-18/h2-7,11,21H,8-9H2,1H3,(H2,20,22,23)(H,24,25,26,27)
InChIKeyFAEURQZNDBHNHV-UHFFFAOYSA-N
MW422.47 g/mol
LogP1.11
Rot. Bonds4

About 5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine

5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine (PubChem CID 145214898) has the molecular formula C19H18N8O2S and a molecular weight of 422.47 g/mol. Its IUPAC name is 5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Name5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine
PubChem CID145214898
Molecular FormulaC19H18N8O2S
Molecular Weight422.47 g/mol
Exact Mass422.13
IUPAC Name5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine
SMILESCc1c(S(=O)(=O)C2CNC2)ccc(-c2ccnc3nc(N)ccc23)c1-c1nn[nH]n1
InChIInChI=1S/C19H18N8O2S/c1-10-15(30(28,29)11-8-21-9-11)4-2-13(17(10)19-24-26-27-25-19)12-6-7-22-18-14(12)3-5-16(20)23-18/h2-7,11,21H,8-9H2,1H3,(H2,20,22,23)(H,24,25,26,27)
InChIKeyFAEURQZNDBHNHV-UHFFFAOYSA-N
XLogP1.11
TPSA152.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine?
The IUPAC name of 5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine (CID 145214898) is 5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine.
What is the SMILES notation for 5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine?
The canonical SMILES for 5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine is Cc1c(S(=O)(=O)C2CNC2)ccc(-c2ccnc3nc(N)ccc23)c1-c1nn[nH]n1.
What is the InChIKey of 5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine?
The InChIKey is FAEURQZNDBHNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2S/c1-10-15(30(28,29)11-8-21-9-11)4-2-13(17(10)19-24-26-27-25-19)12-6-7-22-18-14(12)3-5-16(20)23-18/h2-7,11,21H,8-9H2,1H3,(H2,20,22,23)(H,24,25,26,27).
What are the key properties of 5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine?
5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine has a molecular weight of 422.47 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(azetidin-3-ylsulfonyl)-3-methyl-2-(2H-tetrazol-5-yl)phenyl]-1,8-naphthyridin-2-amine is sourced from PubChem (CID 145214898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).