4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine

C24H27N7O2 — CID 154649454

IUPAC4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine
SMILESNc1cc(-c2ccn(C3CCCCO3)n2)c2ncc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C24H27N7O2/c25-21-14-17(18-8-10-30(29-18)22-5-1-3-11-32-22)24-19(28-21)13-16(15-26-24)20-7-9-27-31(20)23-6-2-4-12-33-23/h7-10,13-15,22-23H,1-6,11-12H2,(H2,25,28)
InChIKeyVYJYPLPSZXJBKB-UHFFFAOYSA-N
MW445.53 g/mol
LogP4.34
Rot. Bonds4

About 4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine

4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine (PubChem CID 154649454) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine
PubChem CID154649454
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine
SMILESNc1cc(-c2ccn(C3CCCCO3)n2)c2ncc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C24H27N7O2/c25-21-14-17(18-8-10-30(29-18)22-5-1-3-11-32-22)24-19(28-21)13-16(15-26-24)20-7-9-27-31(20)23-6-2-4-12-33-23/h7-10,13-15,22-23H,1-6,11-12H2,(H2,25,28)
InChIKeyVYJYPLPSZXJBKB-UHFFFAOYSA-N
XLogP4.34
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine?
The IUPAC name of 4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine (CID 154649454) is 4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine.
What is the SMILES notation for 4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine?
The canonical SMILES for 4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine is Nc1cc(-c2ccn(C3CCCCO3)n2)c2ncc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine?
The InChIKey is VYJYPLPSZXJBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c25-21-14-17(18-8-10-30(29-18)22-5-1-3-11-32-22)24-19(28-21)13-16(15-26-24)20-7-9-27-31(20)23-6-2-4-12-33-23/h7-10,13-15,22-23H,1-6,11-12H2,(H2,25,28).
What are the key properties of 4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine?
4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine has a molecular weight of 445.53 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine is sourced from PubChem (CID 154649454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).