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2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol

C22H24FN5OS — CID 167504213

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol
SMILESCc1cnc(-c2cc(O)c(-c3ccc(N4CCC(NC5CCC5)C4)nn3)cc2F)s1
InChIInChI=1S/C22H24FN5OS/c1-13-11-24-22(30-13)16-10-20(29)17(9-18(16)23)19-5-6-21(27-26-19)28-8-7-15(12-28)25-14-3-2-4-14/h5-6,9-11,14-15,25,29H,2-4,7-8,12H2,1H3
InChIKeyHOVSRIXWOJCRGX-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.14
Rot. Bonds5

About 2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol

2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol (PubChem CID 167504213) has the molecular formula C22H24FN5OS and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol
PubChem CID167504213
Molecular FormulaC22H24FN5OS
Molecular Weight425.53 g/mol
Exact Mass425.17
IUPAC Name2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol
SMILESCc1cnc(-c2cc(O)c(-c3ccc(N4CCC(NC5CCC5)C4)nn3)cc2F)s1
InChIInChI=1S/C22H24FN5OS/c1-13-11-24-22(30-13)16-10-20(29)17(9-18(16)23)19-5-6-21(27-26-19)28-8-7-15(12-28)25-14-3-2-4-14/h5-6,9-11,14-15,25,29H,2-4,7-8,12H2,1H3
InChIKeyHOVSRIXWOJCRGX-UHFFFAOYSA-N
XLogP4.14
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol?
The IUPAC name of 2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol (CID 167504213) is 2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol is Cc1cnc(-c2cc(O)c(-c3ccc(N4CCC(NC5CCC5)C4)nn3)cc2F)s1.
What is the InChIKey of 2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol?
The InChIKey is HOVSRIXWOJCRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5OS/c1-13-11-24-22(30-13)16-10-20(29)17(9-18(16)23)19-5-6-21(27-26-19)28-8-7-15(12-28)25-14-3-2-4-14/h5-6,9-11,14-15,25,29H,2-4,7-8,12H2,1H3.
What are the key properties of 2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol?
2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol has a molecular weight of 425.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(5-methyl-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 167504213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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