4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile

C25H22FN5O — CID 176574673

IUPAC4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2ccc3c(F)c[nH]c3c2)cc(N2CCC(Oc3ccccc3)CC2)n1
InChIInChI=1S/C25H22FN5O/c26-23-16-28-24-13-17(6-7-22(23)24)29-18-12-19(15-27)30-25(14-18)31-10-8-21(9-11-31)32-20-4-2-1-3-5-20/h1-7,12-14,16,21,28H,8-11H2,(H,29,30)
InChIKeyYJSYPKCYOHBOPD-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.37
Rot. Bonds5

About 4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile

4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 176574673) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID176574673
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2ccc3c(F)c[nH]c3c2)cc(N2CCC(Oc3ccccc3)CC2)n1
InChIInChI=1S/C25H22FN5O/c26-23-16-28-24-13-17(6-7-22(23)24)29-18-12-19(15-27)30-25(14-18)31-10-8-21(9-11-31)32-20-4-2-1-3-5-20/h1-7,12-14,16,21,28H,8-11H2,(H,29,30)
InChIKeyYJSYPKCYOHBOPD-UHFFFAOYSA-N
XLogP5.37
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine
CID 176574578
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 154778818
6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133459405
6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72855974
N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine
CID 126813706
4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
CID 70712024
5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 122053440
4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine
CID 176574537
4-amino-2,6-difluoro-3-[4-[(3R)-3-phenoxypyrrolidin-1-yl]anilino]phenol
CID 169211711
2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole
CID 174498478
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133318466

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile (CID 176574673) is 4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile is N#Cc1cc(Nc2ccc3c(F)c[nH]c3c2)cc(N2CCC(Oc3ccccc3)CC2)n1.
What is the InChIKey of 4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is YJSYPKCYOHBOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c26-23-16-28-24-13-17(6-7-22(23)24)29-18-12-19(15-27)30-25(14-18)31-10-8-21(9-11-31)32-20-4-2-1-3-5-20/h1-7,12-14,16,21,28H,8-11H2,(H,29,30).
What are the key properties of 4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile?
4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 427.48 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 176574673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).