1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one

C22H35N5O2 — CID 10150797

IUPAC1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C22H35N5O2/c1-6-29-13-18-25-19-20(15(4)16(5)24-21(19)23)27(18)12-9-17-7-10-26(11-8-17)22(28)14(2)3/h14,17H,6-13H2,1-5H3,(H2,23,24)
InChIKeyJXMILQKKROYKJK-UHFFFAOYSA-N
MW401.56 g/mol
LogP3.45
Rot. Bonds7

About 1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 10150797) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID10150797
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C22H35N5O2/c1-6-29-13-18-25-19-20(15(4)16(5)24-21(19)23)27(18)12-9-17-7-10-26(11-8-17)22(28)14(2)3/h14,17H,6-13H2,1-5H3,(H2,23,24)
InChIKeyJXMILQKKROYKJK-UHFFFAOYSA-N
XLogP3.45
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one (CID 10150797) is 1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one is CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is JXMILQKKROYKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-6-29-13-18-25-19-20(15(4)16(5)24-21(19)23)27(18)12-9-17-7-10-26(11-8-17)22(28)14(2)3/h14,17H,6-13H2,1-5H3,(H2,23,24).
What are the key properties of 1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 401.56 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 10150797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).