[4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone

C21H30N6O3 — CID 97447598

IUPAC[4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCn1cnc2c(N3CCOCC3)nc(C3CCN(C(=O)N4CCOCC4)CC3)cc21
InChIInChI=1S/C21H30N6O3/c1-24-15-22-19-18(24)14-17(23-20(19)25-6-10-29-11-7-25)16-2-4-26(5-3-16)21(28)27-8-12-30-13-9-27/h14-16H,2-13H2,1H3
InChIKeyTUTFWVRQYANKMV-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.44
Rot. Bonds2

About [4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone

[4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 97447598) has the molecular formula C21H30N6O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is [4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID97447598
Molecular FormulaC21H30N6O3
Molecular Weight414.51 g/mol
Exact Mass414.24
IUPAC Name[4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCn1cnc2c(N3CCOCC3)nc(C3CCN(C(=O)N4CCOCC4)CC3)cc21
InChIInChI=1S/C21H30N6O3/c1-24-15-22-19-18(24)14-17(23-20(19)25-6-10-29-11-7-25)16-2-4-26(5-3-16)21(28)27-8-12-30-13-9-27/h14-16H,2-13H2,1H3
InChIKeyTUTFWVRQYANKMV-UHFFFAOYSA-N
XLogP1.44
TPSA75.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone (CID 97447598) is [4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone is Cn1cnc2c(N3CCOCC3)nc(C3CCN(C(=O)N4CCOCC4)CC3)cc21.
What is the InChIKey of [4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is TUTFWVRQYANKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O3/c1-24-15-22-19-18(24)14-17(23-20(19)25-6-10-29-11-7-25)16-2-4-26(5-3-16)21(28)27-8-12-30-13-9-27/h14-16H,2-13H2,1H3.
What are the key properties of [4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
[4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 414.51 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-4-morpholin-4-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97447598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).