3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine

C24H32N6O — CID 12891601

IUPAC3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine
SMILESc1ccc(Cn2c(NC3CCN(CCN4CCOCC4)CC3)nc3cccnc32)cc1
InChIInChI=1S/C24H32N6O/c1-2-5-20(6-3-1)19-30-23-22(7-4-10-25-23)27-24(30)26-21-8-11-28(12-9-21)13-14-29-15-17-31-18-16-29/h1-7,10,21H,8-9,11-19H2,(H,26,27)
InChIKeyHDRJLEDJINJHHV-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.69
Rot. Bonds7

About 3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine

3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 12891601) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine
PubChem CID12891601
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine
SMILESc1ccc(Cn2c(NC3CCN(CCN4CCOCC4)CC3)nc3cccnc32)cc1
InChIInChI=1S/C24H32N6O/c1-2-5-20(6-3-1)19-30-23-22(7-4-10-25-23)27-24(30)26-21-8-11-28(12-9-21)13-14-29-15-17-31-18-16-29/h1-7,10,21H,8-9,11-19H2,(H,26,27)
InChIKeyHDRJLEDJINJHHV-UHFFFAOYSA-N
XLogP2.69
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine (CID 12891601) is 3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine is c1ccc(Cn2c(NC3CCN(CCN4CCOCC4)CC3)nc3cccnc32)cc1.
What is the InChIKey of 3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is HDRJLEDJINJHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-2-5-20(6-3-1)19-30-23-22(7-4-10-25-23)27-24(30)26-21-8-11-28(12-9-21)13-14-29-15-17-31-18-16-29/h1-7,10,21H,8-9,11-19H2,(H,26,27).
What are the key properties of 3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine?
3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 420.56 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 12891601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).