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

C25H29FN8O — CID 90289541

IUPAC7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOC(CN1CC(F)C1)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1
InChIInChI=1S/C25H29FN8O/c1-16(2)17-7-25(32-28-9-17)31-24-5-4-22-23(30-24)6-18(8-27-22)19-10-29-34(11-19)15-21(35-3)14-33-12-20(26)13-33/h4-11,16,20-21H,12-15H2,1-3H3,(H,30,31,32)
InChIKeyNTTHXLQMXPIADD-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.82
Rot. Bonds9

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

7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289541) has the molecular formula C25H29FN8O and a molecular weight of 476.56 g/mol. Its IUPAC name is 7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289541
Molecular FormulaC25H29FN8O
Molecular Weight476.56 g/mol
Exact Mass476.24
IUPAC Name7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOC(CN1CC(F)C1)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1
InChIInChI=1S/C25H29FN8O/c1-16(2)17-7-25(32-28-9-17)31-24-5-4-22-23(30-24)6-18(8-27-22)19-10-29-34(11-19)15-21(35-3)14-33-12-20(26)13-33/h4-11,16,20-21H,12-15H2,1-3H3,(H,30,31,32)
InChIKeyNTTHXLQMXPIADD-UHFFFAOYSA-N
XLogP3.82
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]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-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289541) is 7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]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-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is COC(CN1CC(F)C1)Cn1cc(-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cn1.
What is the InChIKey of 7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is NTTHXLQMXPIADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O/c1-16(2)17-7-25(32-28-9-17)31-24-5-4-22-23(30-24)6-18(8-27-22)19-10-29-34(11-19)15-21(35-3)14-33-12-20(26)13-33/h4-11,16,20-21H,12-15H2,1-3H3,(H,30,31,32).
What are the key properties of 7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 476.56 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-(3-fluoroazetidin-1-yl)-2-methoxypropyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).