4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile

C25H23FN6 — CID 118920627

IUPAC4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
SMILESCn1cc2cc(-c3cnc(N4CCC(N)CC4)cc3-c3ccc(C#N)c(F)c3)ccc2n1
InChIInChI=1S/C25H23FN6/c1-31-15-19-10-16(4-5-24(19)30-31)22-14-29-25(32-8-6-20(28)7-9-32)12-21(22)17-2-3-18(13-27)23(26)11-17/h2-5,10-12,14-15,20H,6-9,28H2,1H3
InChIKeyATYRWNSAJNMKTB-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.24
Rot. Bonds3

About 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile

4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile (PubChem CID 118920627) has the molecular formula C25H23FN6 and a molecular weight of 426.50 g/mol. Its IUPAC name is 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
PubChem CID118920627
Molecular FormulaC25H23FN6
Molecular Weight426.50 g/mol
Exact Mass426.20
IUPAC Name4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
SMILESCn1cc2cc(-c3cnc(N4CCC(N)CC4)cc3-c3ccc(C#N)c(F)c3)ccc2n1
InChIInChI=1S/C25H23FN6/c1-31-15-19-10-16(4-5-24(19)30-31)22-14-29-25(32-8-6-20(28)7-9-32)12-21(22)17-2-3-18(13-27)23(26)11-17/h2-5,10-12,14-15,20H,6-9,28H2,1H3
InChIKeyATYRWNSAJNMKTB-UHFFFAOYSA-N
XLogP4.24
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-(dimethylamino)piperidin-1-yl]-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
CID 118920626
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyridazin-4-yl]-2-fluorobenzonitrile
CID 118920657
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile
CID 118917219
4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile
CID 118920633
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile
CID 118920649
4-[5-[4-(dimethylamino)piperidin-1-yl]-2-(2-methylindazol-5-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 118920717
4-[2-(4-aminopiperidin-1-yl)-6-(methylamino)-5-(2-methylindazol-5-yl)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 118142175
2-fluoro-4-[5-[4-(methylamino)piperidin-1-yl]-2-(2-methylindazol-5-yl)-3-pyridinyl]benzonitrile
CID 118920722
4-[5-(4-aminopiperidin-1-yl)-6-methoxy-2-(2-methylindazol-6-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 118920640
4-[2-(1,4-diazepan-1-yl)-5-(2-methylindazol-5-yl)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 122622013
4-[5-(3-aminopiperidine-1-carbonyl)-2-(2-methylindazol-5-yl)thiophen-3-yl]-2-fluorobenzonitrile
CID 174165832
4-[1,5-dimethyl-2-(2-methylindazol-5-yl)pyrrol-3-yl]-2-fluorobenzonitrile
CID 166907779

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile?
The IUPAC name of 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile (CID 118920627) is 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile is Cn1cc2cc(-c3cnc(N4CCC(N)CC4)cc3-c3ccc(C#N)c(F)c3)ccc2n1.
What is the InChIKey of 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile?
The InChIKey is ATYRWNSAJNMKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6/c1-31-15-19-10-16(4-5-24(19)30-31)22-14-29-25(32-8-6-20(28)7-9-32)12-21(22)17-2-3-18(13-27)23(26)11-17/h2-5,10-12,14-15,20H,6-9,28H2,1H3.
What are the key properties of 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile?
4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile has a molecular weight of 426.50 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile is sourced from PubChem (CID 118920627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).