[4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone

C22H34N6O3 — CID 20795125

IUPAC[4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCOCc1nc2c(N)nc(C)cc2n1CCC1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H34N6O3/c1-3-30-15-19-25-20-18(14-16(2)24-21(20)23)28(19)9-6-17-4-7-26(8-5-17)22(29)27-10-12-31-13-11-27/h14,17H,3-13,15H2,1-2H3,(H2,23,24)
InChIKeyUEQZDOMVKALGGC-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.41
Rot. Bonds6

About [4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone

[4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 20795125) has the molecular formula C22H34N6O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is [4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID20795125
Molecular FormulaC22H34N6O3
Molecular Weight430.55 g/mol
Exact Mass430.27
IUPAC Name[4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCOCc1nc2c(N)nc(C)cc2n1CCC1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H34N6O3/c1-3-30-15-19-25-20-18(14-16(2)24-21(20)23)28(19)9-6-17-4-7-26(8-5-17)22(29)27-10-12-31-13-11-27/h14,17H,3-13,15H2,1-2H3,(H2,23,24)
InChIKeyUEQZDOMVKALGGC-UHFFFAOYSA-N
XLogP2.41
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 20795125) is [4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone is CCOCc1nc2c(N)nc(C)cc2n1CCC1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is UEQZDOMVKALGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O3/c1-3-30-15-19-25-20-18(14-16(2)24-21(20)23)28(19)9-6-17-4-7-26(8-5-17)22(29)27-10-12-31-13-11-27/h14,17H,3-13,15H2,1-2H3,(H2,23,24).
What are the key properties of [4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 430.55 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 20795125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).