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

C24H27N7O — CID 118510149

IUPAC7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C24H27N7O/c1-16(2)18-10-24(30-26-12-18)29-23-4-3-21-22(28-23)9-19(11-25-21)20-13-27-31(15-20)14-17-5-7-32-8-6-17/h3-4,9-13,15-17H,5-8,14H2,1-2H3,(H,28,29,30)
InChIKeyRIPMMVBEIVRING-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.58
Rot. Bonds6

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

7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 118510149) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID118510149
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C24H27N7O/c1-16(2)18-10-24(30-26-12-18)29-23-4-3-21-22(28-23)9-19(11-25-21)20-13-27-31(15-20)14-17-5-7-32-8-6-17/h3-4,9-13,15-17H,5-8,14H2,1-2H3,(H,28,29,30)
InChIKeyRIPMMVBEIVRING-UHFFFAOYSA-N
XLogP4.58
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 118510149) is 7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC5CCOCC5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is RIPMMVBEIVRING-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16(2)18-10-24(30-26-12-18)29-23-4-3-21-22(28-23)9-19(11-25-21)20-13-27-31(15-20)14-17-5-7-32-8-6-17/h3-4,9-13,15-17H,5-8,14H2,1-2H3,(H,28,29,30).
What are the key properties of 7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 429.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 118510149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).