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

C23H25N5O4 — CID 58379587

IUPAC1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4[nH]c(=O)n(C5CCC(OCCO)CC5)c4c3n2)cn1
InChIInChI=1S/C23H25N5O4/c1-31-20-9-2-14(12-25-20)17-7-8-18-21(26-17)22-19(13-24-18)27-23(30)28(22)15-3-5-16(6-4-15)32-11-10-29/h2,7-9,12-13,15-16,29H,3-6,10-11H2,1H3,(H,27,30)
InChIKeyJFXLBGOSVVDUOC-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.84
Rot. Bonds6

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

1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379587) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379587
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4[nH]c(=O)n(C5CCC(OCCO)CC5)c4c3n2)cn1
InChIInChI=1S/C23H25N5O4/c1-31-20-9-2-14(12-25-20)17-7-8-18-21(26-17)22-19(13-24-18)27-23(30)28(22)15-3-5-16(6-4-15)32-11-10-29/h2,7-9,12-13,15-16,29H,3-6,10-11H2,1H3,(H,27,30)
InChIKeyJFXLBGOSVVDUOC-UHFFFAOYSA-N
XLogP2.84
TPSA115.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379587) is 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one is COc1ccc(-c2ccc3ncc4[nH]c(=O)n(C5CCC(OCCO)CC5)c4c3n2)cn1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is JFXLBGOSVVDUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-31-20-9-2-14(12-25-20)17-7-8-18-21(26-17)22-19(13-24-18)27-23(30)28(22)15-3-5-16(6-4-15)32-11-10-29/h2,7-9,12-13,15-16,29H,3-6,10-11H2,1H3,(H,27,30).
What are the key properties of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one?
1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 435.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).