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

C25H30N8 — CID 90288411

IUPAC7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCC5CCNCC5)c4)cc3n2)c1
InChIInChI=1S/C25H30N8/c1-17(2)19-12-25(32-28-14-19)31-24-4-3-22-23(30-24)11-20(13-27-22)21-15-29-33(16-21)10-7-18-5-8-26-9-6-18/h3-4,11-18,26H,5-10H2,1-2H3,(H,30,31,32)
InChIKeyFDFRBTBXRDSYGT-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.54
Rot. Bonds7

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

7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288411) has the molecular formula C25H30N8 and a molecular weight of 442.57 g/mol. Its IUPAC name is 7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288411
Molecular FormulaC25H30N8
Molecular Weight442.57 g/mol
Exact Mass442.26
IUPAC Name7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCC5CCNCC5)c4)cc3n2)c1
InChIInChI=1S/C25H30N8/c1-17(2)19-12-25(32-28-14-19)31-24-4-3-22-23(30-24)11-20(13-27-22)21-15-29-33(16-21)10-7-18-5-8-26-9-6-18/h3-4,11-18,26H,5-10H2,1-2H3,(H,30,31,32)
InChIKeyFDFRBTBXRDSYGT-UHFFFAOYSA-N
XLogP4.54
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288411) is 7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCC5CCNCC5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is FDFRBTBXRDSYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8/c1-17(2)19-12-25(32-28-14-19)31-24-4-3-22-23(30-24)11-20(13-27-22)21-15-29-33(16-21)10-7-18-5-8-26-9-6-18/h3-4,11-18,26H,5-10H2,1-2H3,(H,30,31,32).
What are the key properties of 7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 442.57 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).