3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol

C26H37N5O — CID 153396653

IUPAC3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol
SMILESCCCCc1nc2c(C)c(CN3CCC(c4cccc(O)c4)(N(C)C)CC3)cnc2n1C
InChIInChI=1S/C26H37N5O/c1-6-7-11-23-28-24-19(2)20(17-27-25(24)30(23)5)18-31-14-12-26(13-15-31,29(3)4)21-9-8-10-22(32)16-21/h8-10,16-17,32H,6-7,11-15,18H2,1-5H3
InChIKeyXTKKQDUXPKGEIR-UHFFFAOYSA-N
MW435.62 g/mol
LogP4.38
Rot. Bonds7

About 3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol

3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol (PubChem CID 153396653) has the molecular formula C26H37N5O and a molecular weight of 435.62 g/mol. Its IUPAC name is 3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol
PubChem CID153396653
Molecular FormulaC26H37N5O
Molecular Weight435.62 g/mol
Exact Mass435.30
IUPAC Name3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol
SMILESCCCCc1nc2c(C)c(CN3CCC(c4cccc(O)c4)(N(C)C)CC3)cnc2n1C
InChIInChI=1S/C26H37N5O/c1-6-7-11-23-28-24-19(2)20(17-27-25(24)30(23)5)18-31-14-12-26(13-15-31,29(3)4)21-9-8-10-22(32)16-21/h8-10,16-17,32H,6-7,11-15,18H2,1-5H3
InChIKeyXTKKQDUXPKGEIR-UHFFFAOYSA-N
XLogP4.38
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol?
The IUPAC name of 3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol (CID 153396653) is 3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol is CCCCc1nc2c(C)c(CN3CCC(c4cccc(O)c4)(N(C)C)CC3)cnc2n1C.
What is the InChIKey of 3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol?
The InChIKey is XTKKQDUXPKGEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O/c1-6-7-11-23-28-24-19(2)20(17-27-25(24)30(23)5)18-31-14-12-26(13-15-31,29(3)4)21-9-8-10-22(32)16-21/h8-10,16-17,32H,6-7,11-15,18H2,1-5H3.
What are the key properties of 3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol?
3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol has a molecular weight of 435.62 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol is sourced from PubChem (CID 153396653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).