[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride

C27H25ClFN5O — CID 23374538

IUPAC[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1nc2cnccc2n1C1CCN(C(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)CC1.Cl
InChIInChI=1S/C27H24FN5O.ClH/c1-17-31-25-16-29-11-8-26(25)33(17)21-9-12-32(13-10-21)27(34)23-15-30-24-14-19(4-7-22(23)24)18-2-5-20(28)6-3-18;/h2-8,11,14-16,21,30H,9-10,12-13H2,1H3;1H
InChIKeyWNOAWPOXSKPJEQ-UHFFFAOYSA-N
MW489.98 g/mol
LogP5.93
Rot. Bonds3

About [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride

[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 23374538) has the molecular formula C27H25ClFN5O and a molecular weight of 489.98 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride
PubChem CID23374538
Molecular FormulaC27H25ClFN5O
Molecular Weight489.98 g/mol
Exact Mass489.17
IUPAC Name[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1nc2cnccc2n1C1CCN(C(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)CC1.Cl
InChIInChI=1S/C27H24FN5O.ClH/c1-17-31-25-16-29-11-8-26(25)33(17)21-9-12-32(13-10-21)27(34)23-15-30-24-14-19(4-7-22(23)24)18-2-5-20(28)6-3-18;/h2-8,11,14-16,21,30H,9-10,12-13H2,1H3;1H
InChIKeyWNOAWPOXSKPJEQ-UHFFFAOYSA-N
XLogP5.93
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.98
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride (CID 23374538) is [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride is Cc1nc2cnccc2n1C1CCN(C(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)CC1.Cl.
What is the InChIKey of [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is WNOAWPOXSKPJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O.ClH/c1-17-31-25-16-29-11-8-26(25)33(17)21-9-12-32(13-10-21)27(34)23-15-30-24-14-19(4-7-22(23)24)18-2-5-20(28)6-3-18;/h2-8,11,14-16,21,30H,9-10,12-13H2,1H3;1H.
What are the key properties of [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride?
[6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 489.98 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-1H-indol-3-yl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 23374538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).