4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile

C27H24F2N6 — CID 154665637

IUPAC4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2nc3c(N4CCCC(N)C4)ccnc3n2-c2ccc(C3CC3)cc2F)cc1F
InChIInChI=1S/C27H24F2N6/c28-21-13-18(5-6-19(21)14-30)26-33-25-24(34-11-1-2-20(31)15-34)9-10-32-27(25)35(26)23-8-7-17(12-22(23)29)16-3-4-16/h5-10,12-13,16,20H,1-4,11,15,31H2
InChIKeyURQXSSLOCVIERW-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.04
Rot. Bonds4

About 4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile

4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile (PubChem CID 154665637) has the molecular formula C27H24F2N6 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
PubChem CID154665637
Molecular FormulaC27H24F2N6
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2nc3c(N4CCCC(N)C4)ccnc3n2-c2ccc(C3CC3)cc2F)cc1F
InChIInChI=1S/C27H24F2N6/c28-21-13-18(5-6-19(21)14-30)26-33-25-24(34-11-1-2-20(31)15-34)9-10-32-27(25)35(26)23-8-7-17(12-22(23)29)16-3-4-16/h5-10,12-13,16,20H,1-4,11,15,31H2
InChIKeyURQXSSLOCVIERW-UHFFFAOYSA-N
XLogP5.04
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(2-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154698674
4-[7-(3-aminopiperidin-1-yl)-3-(2-fluoro-4-pyrrolidin-1-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154665635
4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(2-fluoro-4-piperidin-1-ylphenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154698672
4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(4-cyclohexylphenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154698704
4-[3-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-fluorophenyl]-7-(3-aminopiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154665595
4-[7-(3-aminopiperidin-1-yl)-3-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154665607
4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 155026327
4-[7-(3-aminopiperidin-1-yl)-3-[4-(3-ethoxypyrrolidin-1-yl)-2-fluorophenyl]imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 175158250
4-[7-[(3R)-3-aminoazepan-1-yl]-3-[2-fluoro-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154698680
4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 165090338
4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(4-hexylphenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 154698659
4-[3-(4-cyclopentyloxy-2-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 166833990

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile (CID 154665637) is 4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile is N#Cc1ccc(-c2nc3c(N4CCCC(N)C4)ccnc3n2-c2ccc(C3CC3)cc2F)cc1F.
What is the InChIKey of 4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile?
The InChIKey is URQXSSLOCVIERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6/c28-21-13-18(5-6-19(21)14-30)26-33-25-24(34-11-1-2-20(31)15-34)9-10-32-27(25)35(26)23-8-7-17(12-22(23)29)16-3-4-16/h5-10,12-13,16,20H,1-4,11,15,31H2.
What are the key properties of 4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile?
4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile has a molecular weight of 470.53 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-aminopiperidin-1-yl)-3-(4-cyclopropyl-2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 154665637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).