5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine

C25H27N7O — CID 54675301

IUPAC5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(N6CCN(C7CC7)CC6)C5)cc4n3)ccc2o1
InChIInChI=1S/C25H27N7O/c26-25-29-23-11-16(1-6-24(23)33-25)20-4-5-21-22(28-20)12-18(13-27-21)32-14-19(15-32)31-9-7-30(8-10-31)17-2-3-17/h1,4-6,11-13,17,19H,2-3,7-10,14-15H2,(H2,26,29)
InChIKeyNVFNJQUIFFEONZ-UHFFFAOYSA-N
MW441.54 g/mol
LogP2.99
Rot. Bonds4

About 5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine

5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine (PubChem CID 54675301) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
PubChem CID54675301
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(N6CCN(C7CC7)CC6)C5)cc4n3)ccc2o1
InChIInChI=1S/C25H27N7O/c26-25-29-23-11-16(1-6-24(23)33-25)20-4-5-21-22(28-20)12-18(13-27-21)32-14-19(15-32)31-9-7-30(8-10-31)17-2-3-17/h1,4-6,11-13,17,19H,2-3,7-10,14-15H2,(H2,26,29)
InChIKeyNVFNJQUIFFEONZ-UHFFFAOYSA-N
XLogP2.99
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine (CID 54675301) is 5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(N5CC(N6CCN(C7CC7)CC6)C5)cc4n3)ccc2o1.
What is the InChIKey of 5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?
The InChIKey is NVFNJQUIFFEONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c26-25-29-23-11-16(1-6-24(23)33-25)20-4-5-21-22(28-20)12-18(13-27-21)32-14-19(15-32)31-9-7-30(8-10-31)17-2-3-17/h1,4-6,11-13,17,19H,2-3,7-10,14-15H2,(H2,26,29).
What are the key properties of 5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?
5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine has a molecular weight of 441.54 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 54675301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).