4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile

C24H22FN7 — CID 118920649

IUPAC4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile
SMILESCn1cc2ccc(-c3nnc(N4CCC(N)CC4)cc3-c3ccc(C#N)c(F)c3)cc2n1
InChIInChI=1S/C24H22FN7/c1-31-14-18-5-3-16(11-22(18)30-31)24-20(15-2-4-17(13-26)21(25)10-15)12-23(28-29-24)32-8-6-19(27)7-9-32/h2-5,10-12,14,19H,6-9,27H2,1H3
InChIKeyKCBOBPBHAFAAHC-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.64
Rot. Bonds3

About 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile

4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile (PubChem CID 118920649) has the molecular formula C24H22FN7 and a molecular weight of 427.49 g/mol. Its IUPAC name is 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile
PubChem CID118920649
Molecular FormulaC24H22FN7
Molecular Weight427.49 g/mol
Exact Mass427.19
IUPAC Name4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile
SMILESCn1cc2ccc(-c3nnc(N4CCC(N)CC4)cc3-c3ccc(C#N)c(F)c3)cc2n1
InChIInChI=1S/C24H22FN7/c1-31-14-18-5-3-16(11-22(18)30-31)24-20(15-2-4-17(13-26)21(25)10-15)12-23(28-29-24)32-8-6-19(27)7-9-32/h2-5,10-12,14,19H,6-9,27H2,1H3
InChIKeyKCBOBPBHAFAAHC-UHFFFAOYSA-N
XLogP3.64
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyridazin-4-yl]-2-fluorobenzonitrile
CID 118920657
4-[5-(4-aminopiperidin-1-yl)-6-methoxy-2-(2-methylindazol-6-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 118920640
4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
CID 118920627
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile
CID 118917219
4-[2-[4-(dimethylamino)piperidin-1-yl]-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
CID 118920626
4-[2-(4-aminopiperidin-1-yl)-6-(methylamino)-5-(2-methylindazol-5-yl)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 118142175
4-[5-[4-(dimethylamino)piperidin-1-yl]-2-(2-methylindazol-5-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 118920717
2-fluoro-4-[5-[4-(methylamino)piperidin-1-yl]-2-(2-methylindazol-5-yl)-3-pyridinyl]benzonitrile
CID 118920722
4-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-5-chloro-1-(2-methylindazol-6-yl)imidazol-2-yl]-2-fluorobenzonitrile
CID 138745506
4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile
CID 118920633
4-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(2-methylindazol-6-yl)-5-(trifluoromethyl)imidazol-2-yl]-2-fluorobenzonitrile
CID 138745808
6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
CID 169103076

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile (CID 118920649) is 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile is Cn1cc2ccc(-c3nnc(N4CCC(N)CC4)cc3-c3ccc(C#N)c(F)c3)cc2n1.
What is the InChIKey of 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile?
The InChIKey is KCBOBPBHAFAAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7/c1-31-14-18-5-3-16(11-22(18)30-31)24-20(15-2-4-17(13-26)21(25)10-15)12-23(28-29-24)32-8-6-19(27)7-9-32/h2-5,10-12,14,19H,6-9,27H2,1H3.
What are the key properties of 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile?
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile has a molecular weight of 427.49 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 118920649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).