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

C26H31FN8O — CID 90289357

IUPAC7-[1-[3-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(OCCF)C5)c4)cc3n2)c1
InChIInChI=1S/C26H31FN8O/c1-18(2)19-11-26(33-29-13-19)32-25-5-4-23-24(31-25)10-20(12-28-23)21-14-30-35(15-21)8-3-7-34-16-22(17-34)36-9-6-27/h4-5,10-15,18,22H,3,6-9,16-17H2,1-2H3,(H,31,32,33)
InChIKeyFNTOIHDPKFNELW-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.21
Rot. Bonds11

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

7-[1-[3-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289357) has the molecular formula C26H31FN8O and a molecular weight of 490.59 g/mol. Its IUPAC name is 7-[1-[3-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[3-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289357
Molecular FormulaC26H31FN8O
Molecular Weight490.59 g/mol
Exact Mass490.26
IUPAC Name7-[1-[3-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(OCCF)C5)c4)cc3n2)c1
InChIInChI=1S/C26H31FN8O/c1-18(2)19-11-26(33-29-13-19)32-25-5-4-23-24(31-25)10-20(12-28-23)21-14-30-35(15-21)8-3-7-34-16-22(17-34)36-9-6-27/h4-5,10-15,18,22H,3,6-9,16-17H2,1-2H3,(H,31,32,33)
InChIKeyFNTOIHDPKFNELW-UHFFFAOYSA-N
XLogP4.21
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-[3-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-[3-(2-fluoroethoxy)azetidin-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-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289357) is 7-[1-[3-[3-(2-fluoroethoxy)azetidin-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-[3-(2-fluoroethoxy)azetidin-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-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(OCCF)C5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-[3-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is FNTOIHDPKFNELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN8O/c1-18(2)19-11-26(33-29-13-19)32-25-5-4-23-24(31-25)10-20(12-28-23)21-14-30-35(15-21)8-3-7-34-16-22(17-34)36-9-6-27/h4-5,10-15,18,22H,3,6-9,16-17H2,1-2H3,(H,31,32,33).
What are the key properties of 7-[1-[3-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[3-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 490.59 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-[3-(2-fluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).