[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol

C26H33ClN6O — CID 146555177

IUPAC[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCN1C2CCC1CN(c1cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)c(CO)n13)C2
InChIInChI=1S/C26H33ClN6O/c1-30-17-11-12-18(30)15-32(14-17)24-10-4-9-23-29-26(22(16-34)33(23)24)21-8-3-7-20(31(21)2)25-19(27)6-5-13-28-25/h4-6,9-10,13,17-18,20-21,34H,3,7-8,11-12,14-16H2,1-2H3/t17?,18?,20-,21+/m0/s1
InChIKeyOYUIXWKZBUHNQY-RRIIRSAJSA-N
MW481.04 g/mol
LogP4.06
Rot. Bonds4

About [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol

[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 146555177) has the molecular formula C26H33ClN6O and a molecular weight of 481.04 g/mol. Its IUPAC name is [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID146555177
Molecular FormulaC26H33ClN6O
Molecular Weight481.04 g/mol
Exact Mass480.24
IUPAC Name[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCN1C2CCC1CN(c1cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)c(CO)n13)C2
InChIInChI=1S/C26H33ClN6O/c1-30-17-11-12-18(30)15-32(14-17)24-10-4-9-23-29-26(22(16-34)33(23)24)21-8-3-7-20(31(21)2)25-19(27)6-5-13-28-25/h4-6,9-10,13,17-18,20-21,34H,3,7-8,11-12,14-16H2,1-2H3/t17?,18?,20-,21+/m0/s1
InChIKeyOYUIXWKZBUHNQY-RRIIRSAJSA-N
XLogP4.06
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.04
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol (CID 146555177) is [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol is CN1C2CCC1CN(c1cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)c(CO)n13)C2.
What is the InChIKey of [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is OYUIXWKZBUHNQY-RRIIRSAJSA-N. The full InChI is InChI=1S/C26H33ClN6O/c1-30-17-11-12-18(30)15-32(14-17)24-10-4-9-23-29-26(22(16-34)33(23)24)21-8-3-7-20(31(21)2)25-19(27)6-5-13-28-25/h4-6,9-10,13,17-18,20-21,34H,3,7-8,11-12,14-16H2,1-2H3/t17?,18?,20-,21+/m0/s1.
What are the key properties of [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol?
[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 481.04 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 146555177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).