N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine

C20H18FN7S — CID 67452856

IUPACN-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine
SMILESFc1cccnc1C1(CNc2ccc(-c3ncc(-c4ccn[nH]4)s3)nn2)CCC1
InChIInChI=1S/C20H18FN7S/c21-13-3-1-9-22-18(13)20(7-2-8-20)12-24-17-5-4-15(27-28-17)19-23-11-16(29-19)14-6-10-25-26-14/h1,3-6,9-11H,2,7-8,12H2,(H,24,28)(H,25,26)
InChIKeyOQWBMFXGVSFMNV-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.06
Rot. Bonds6

About N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine

N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine (PubChem CID 67452856) has the molecular formula C20H18FN7S and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine
PubChem CID67452856
Molecular FormulaC20H18FN7S
Molecular Weight407.48 g/mol
Exact Mass407.13
IUPAC NameN-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine
SMILESFc1cccnc1C1(CNc2ccc(-c3ncc(-c4ccn[nH]4)s3)nn2)CCC1
InChIInChI=1S/C20H18FN7S/c21-13-3-1-9-22-18(13)20(7-2-8-20)12-24-17-5-4-15(27-28-17)19-23-11-16(29-19)14-6-10-25-26-14/h1,3-6,9-11H,2,7-8,12H2,(H,24,28)(H,25,26)
InChIKeyOQWBMFXGVSFMNV-UHFFFAOYSA-N
XLogP4.06
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine?
The IUPAC name of N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine (CID 67452856) is N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine.
What is the SMILES notation for N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine?
The canonical SMILES for N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine is Fc1cccnc1C1(CNc2ccc(-c3ncc(-c4ccn[nH]4)s3)nn2)CCC1.
What is the InChIKey of N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine?
The InChIKey is OQWBMFXGVSFMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7S/c21-13-3-1-9-22-18(13)20(7-2-8-20)12-24-17-5-4-15(27-28-17)19-23-11-16(29-19)14-6-10-25-26-14/h1,3-6,9-11H,2,7-8,12H2,(H,24,28)(H,25,26).
What are the key properties of N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine?
N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine has a molecular weight of 407.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridazin-3-amine is sourced from PubChem (CID 67452856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).