1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one

C21H21N5O3 — CID 58379482

IUPAC1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4[nH]c(=O)n(C5CCC(O)CC5)c4c3n2)cn1
InChIInChI=1S/C21H21N5O3/c1-29-18-9-2-12(10-23-18)15-7-8-16-19(24-15)20-17(11-22-16)25-21(28)26(20)13-3-5-14(27)6-4-13/h2,7-11,13-14,27H,3-6H2,1H3,(H,25,28)
InChIKeyYWKQALJDAFOFGE-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one

1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379482) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379482
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4[nH]c(=O)n(C5CCC(O)CC5)c4c3n2)cn1
InChIInChI=1S/C21H21N5O3/c1-29-18-9-2-12(10-23-18)15-7-8-16-19(24-15)20-17(11-22-16)25-21(28)26(20)13-3-5-14(27)6-4-13/h2,7-11,13-14,27H,3-6H2,1H3,(H,25,28)
InChIKeyYWKQALJDAFOFGE-UHFFFAOYSA-N
XLogP2.82
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379482) is 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one is COc1ccc(-c2ccc3ncc4[nH]c(=O)n(C5CCC(O)CC5)c4c3n2)cn1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is YWKQALJDAFOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-29-18-9-2-12(10-23-18)15-7-8-16-19(24-15)20-17(11-22-16)25-21(28)26(20)13-3-5-14(27)6-4-13/h2,7-11,13-14,27H,3-6H2,1H3,(H,25,28).
What are the key properties of 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 391.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).