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

C25H28F2N8O — CID 90288924

IUPAC7-[1-[3-[3-(difluoromethoxy)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(OC(F)F)C5)c4)cc3n2)c1
InChIInChI=1S/C25H28F2N8O/c1-16(2)17-9-24(33-29-11-17)32-23-5-4-21-22(31-23)8-18(10-28-21)19-12-30-35(13-19)7-3-6-34-14-20(15-34)36-25(26)27/h4-5,8-13,16,20,25H,3,6-7,14-15H2,1-2H3,(H,31,32,33)
InChIKeyHAQWOHDAVFLQSO-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.46
Rot. Bonds10

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

7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288924) has the molecular formula C25H28F2N8O and a molecular weight of 494.55 g/mol. Its IUPAC name is 7-[1-[3-[3-(difluoromethoxy)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-(difluoromethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288924
Molecular FormulaC25H28F2N8O
Molecular Weight494.55 g/mol
Exact Mass494.24
IUPAC Name7-[1-[3-[3-(difluoromethoxy)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(OC(F)F)C5)c4)cc3n2)c1
InChIInChI=1S/C25H28F2N8O/c1-16(2)17-9-24(33-29-11-17)32-23-5-4-21-22(31-23)8-18(10-28-21)19-12-30-35(13-19)7-3-6-34-14-20(15-34)36-25(26)27/h4-5,8-13,16,20,25H,3,6-7,14-15H2,1-2H3,(H,31,32,33)
InChIKeyHAQWOHDAVFLQSO-UHFFFAOYSA-N
XLogP4.46
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-[3-[3-(difluoromethoxy)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-(difluoromethoxy)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-(difluoromethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288924) is 7-[1-[3-[3-(difluoromethoxy)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-(difluoromethoxy)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-(difluoromethoxy)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(OC(F)F)C5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is HAQWOHDAVFLQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O/c1-16(2)17-9-24(33-29-11-17)32-23-5-4-21-22(31-23)8-18(10-28-21)19-12-30-35(13-19)7-3-6-34-14-20(15-34)36-25(26)27/h4-5,8-13,16,20,25H,3,6-7,14-15H2,1-2H3,(H,31,32,33).
What are the key properties of 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 494.55 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-[3-(difluoromethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).