9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine

C29H34N4O2 — CID 141349529

IUPAC9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine
SMILESCOc1ccc(OCC2CCCN(C3CCC(c4cc[nH]c5cnc6nccc6c45)CC3)C2)cc1
InChIInChI=1S/C29H34N4O2/c1-34-23-8-10-24(11-9-23)35-19-20-3-2-16-33(18-20)22-6-4-21(5-7-22)25-12-14-30-27-17-32-29-26(28(25)27)13-15-31-29/h8-15,17,20-22,30H,2-7,16,18-19H2,1H3
InChIKeyBLBNYBCIVOWPNE-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.94
Rot. Bonds6

About 9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine

9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine (PubChem CID 141349529) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine.

Molecular Properties

Compound Name9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine
PubChem CID141349529
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine
SMILESCOc1ccc(OCC2CCCN(C3CCC(c4cc[nH]c5cnc6nccc6c45)CC3)C2)cc1
InChIInChI=1S/C29H34N4O2/c1-34-23-8-10-24(11-9-23)35-19-20-3-2-16-33(18-20)22-6-4-21(5-7-22)25-12-14-30-27-17-32-29-26(28(25)27)13-15-31-29/h8-15,17,20-22,30H,2-7,16,18-19H2,1H3
InChIKeyBLBNYBCIVOWPNE-UHFFFAOYSA-N
XLogP5.94
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine?
The IUPAC name of 9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine (CID 141349529) is 9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine.
What is the SMILES notation for 9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine?
The canonical SMILES for 9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine is COc1ccc(OCC2CCCN(C3CCC(c4cc[nH]c5cnc6nccc6c45)CC3)C2)cc1.
What is the InChIKey of 9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine?
The InChIKey is BLBNYBCIVOWPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-34-23-8-10-24(11-9-23)35-19-20-3-2-16-33(18-20)22-6-4-21(5-7-22)25-12-14-30-27-17-32-29-26(28(25)27)13-15-31-29/h8-15,17,20-22,30H,2-7,16,18-19H2,1H3.
What are the key properties of 9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine?
9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine has a molecular weight of 470.62 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]cyclohexyl]-6H-pyrrolo[3,2-f][1,7]naphthyridine is sourced from PubChem (CID 141349529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).