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

C26H31FN8 — CID 90288446

IUPAC7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CCC(F)CC5)c4)cc3n2)c1
InChIInChI=1S/C26H31FN8/c1-18(2)19-13-26(33-29-15-19)32-25-5-4-23-24(31-25)12-20(14-28-23)21-16-30-35(17-21)9-3-8-34-10-6-22(27)7-11-34/h4-5,12-18,22H,3,6-11H2,1-2H3,(H,31,32,33)
InChIKeyWXVVQYSMBTVRFB-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.97
Rot. Bonds8

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

7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288446) has the molecular formula C26H31FN8 and a molecular weight of 474.59 g/mol. Its IUPAC name is 7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288446
Molecular FormulaC26H31FN8
Molecular Weight474.59 g/mol
Exact Mass474.27
IUPAC Name7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CCC(F)CC5)c4)cc3n2)c1
InChIInChI=1S/C26H31FN8/c1-18(2)19-13-26(33-29-15-19)32-25-5-4-23-24(31-25)12-20(14-28-23)21-16-30-35(17-21)9-3-8-34-10-6-22(27)7-11-34/h4-5,12-18,22H,3,6-11H2,1-2H3,(H,31,32,33)
InChIKeyWXVVQYSMBTVRFB-UHFFFAOYSA-N
XLogP4.97
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288446) is 7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CCC(F)CC5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is WXVVQYSMBTVRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN8/c1-18(2)19-13-26(33-29-15-19)32-25-5-4-23-24(31-25)12-20(14-28-23)21-16-30-35(17-21)9-3-8-34-10-6-22(27)7-11-34/h4-5,12-18,22H,3,6-11H2,1-2H3,(H,31,32,33).
What are the key properties of 7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 474.59 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).