5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile

C23H27N5 — CID 146555155

IUPAC5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cn3ccccc3n2)N1CCCCC#N
InChIInChI=1S/C23H27N5/c1-18-9-8-14-25-23(18)21-11-7-10-20(28(21)16-5-2-4-13-24)19-17-27-15-6-3-12-22(27)26-19/h3,6,8-9,12,14-15,17,20-21H,2,4-5,7,10-11,16H2,1H3/t20-,21+/m1/s1
InChIKeyJPJHOUUFVWALSF-RTWAWAEBSA-N
MW373.50 g/mol
LogP5.00
Rot. Bonds6

About 5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile

5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile (PubChem CID 146555155) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile
PubChem CID146555155
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cn3ccccc3n2)N1CCCCC#N
InChIInChI=1S/C23H27N5/c1-18-9-8-14-25-23(18)21-11-7-10-20(28(21)16-5-2-4-13-24)19-17-27-15-6-3-12-22(27)26-19/h3,6,8-9,12,14-15,17,20-21H,2,4-5,7,10-11,16H2,1H3/t20-,21+/m1/s1
InChIKeyJPJHOUUFVWALSF-RTWAWAEBSA-N
XLogP5.00
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile?
The IUPAC name of 5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile (CID 146555155) is 5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile is Cc1cccnc1[C@@H]1CCC[C@H](c2cn3ccccc3n2)N1CCCCC#N.
What is the InChIKey of 5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile?
The InChIKey is JPJHOUUFVWALSF-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H27N5/c1-18-9-8-14-25-23(18)21-11-7-10-20(28(21)16-5-2-4-13-24)19-17-27-15-6-3-12-22(27)26-19/h3,6,8-9,12,14-15,17,20-21H,2,4-5,7,10-11,16H2,1H3/t20-,21+/m1/s1.
What are the key properties of 5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile?
5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile has a molecular weight of 373.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 146555155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).