1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

C25H27ClN2O5 — CID 58439116

IUPAC1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCC(C)Oc1ncc(COc2ccc3c(c2)OCC(CN2CCC=C(C(=O)O)C2)=C3)cc1Cl
InChIInChI=1S/C25H27ClN2O5/c1-16(2)33-24-22(26)9-17(11-27-24)14-31-21-6-5-19-8-18(15-32-23(19)10-21)12-28-7-3-4-20(13-28)25(29)30/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,29,30)
InChIKeyFQEAOLAZMOAODJ-UHFFFAOYSA-N
MW470.95 g/mol
LogP4.59
Rot. Bonds8

About 1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 58439116) has the molecular formula C25H27ClN2O5 and a molecular weight of 470.95 g/mol. Its IUPAC name is 1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID58439116
Molecular FormulaC25H27ClN2O5
Molecular Weight470.95 g/mol
Exact Mass470.16
IUPAC Name1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCC(C)Oc1ncc(COc2ccc3c(c2)OCC(CN2CCC=C(C(=O)O)C2)=C3)cc1Cl
InChIInChI=1S/C25H27ClN2O5/c1-16(2)33-24-22(26)9-17(11-27-24)14-31-21-6-5-19-8-18(15-32-23(19)10-21)12-28-7-3-4-20(13-28)25(29)30/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,29,30)
InChIKeyFQEAOLAZMOAODJ-UHFFFAOYSA-N
XLogP4.59
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.95
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 58439116) is 1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is CC(C)Oc1ncc(COc2ccc3c(c2)OCC(CN2CCC=C(C(=O)O)C2)=C3)cc1Cl.
What is the InChIKey of 1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is FQEAOLAZMOAODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5/c1-16(2)33-24-22(26)9-17(11-27-24)14-31-21-6-5-19-8-18(15-32-23(19)10-21)12-28-7-3-4-20(13-28)25(29)30/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,29,30).
What are the key properties of 1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 470.95 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)methoxy]-2H-chromen-3-yl]methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 58439116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).