5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole

C19H20FN5 — CID 169236394

IUPAC5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole
SMILESFC1(c2ccc3[nH]nc(-c4cnnc(N5CCCC5)c4)c3c2)CCC1
InChIInChI=1S/C19H20FN5/c20-19(6-3-7-19)14-4-5-16-15(11-14)18(24-22-16)13-10-17(23-21-12-13)25-8-1-2-9-25/h4-5,10-12H,1-3,6-9H2,(H,22,24)
InChIKeyVXNXGYKREIPLGF-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.97
Rot. Bonds3

About 5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole

5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole (PubChem CID 169236394) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole.

Molecular Properties

Compound Name5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole
PubChem CID169236394
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole
SMILESFC1(c2ccc3[nH]nc(-c4cnnc(N5CCCC5)c4)c3c2)CCC1
InChIInChI=1S/C19H20FN5/c20-19(6-3-7-19)14-4-5-16-15(11-14)18(24-22-16)13-10-17(23-21-12-13)25-8-1-2-9-25/h4-5,10-12H,1-3,6-9H2,(H,22,24)
InChIKeyVXNXGYKREIPLGF-UHFFFAOYSA-N
XLogP3.97
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-piperidin-1-ylpyridazin-4-yl)-5-propoxy-1H-indazole
CID 165137872
4-[5-(5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-yl]morpholine
CID 169236238
3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
CID 85472972
3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
CID 90400886
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 144697519
3-[6-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 90398461
5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 78321211
1-[4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 90400749
4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400745
3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-spiro[2.2]pentan-2-yl-1H-indazole
CID 176963171
4-[5-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzonitrile
CID 121378188

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole?
The IUPAC name of 5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole (CID 169236394) is 5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole.
What is the SMILES notation for 5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole?
The canonical SMILES for 5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole is FC1(c2ccc3[nH]nc(-c4cnnc(N5CCCC5)c4)c3c2)CCC1.
What is the InChIKey of 5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole?
The InChIKey is VXNXGYKREIPLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c20-19(6-3-7-19)14-4-5-16-15(11-14)18(24-22-16)13-10-17(23-21-12-13)25-8-1-2-9-25/h4-5,10-12H,1-3,6-9H2,(H,22,24).
What are the key properties of 5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole?
5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole has a molecular weight of 337.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluorocyclobutyl)-3-(6-pyrrolidin-1-ylpyridazin-4-yl)-1H-indazole is sourced from PubChem (CID 169236394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).