1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one

C26H26ClN3O3 — CID 158629782

IUPAC1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one
SMILESCOCC1CN(c2cnc3c(c2)C(c2ccn(Cc4cccc(Cl)c4)c(=O)c2)=CC3)CCO1
InChIInChI=1S/C26H26ClN3O3/c1-32-17-22-16-29(9-10-33-22)21-13-24-23(5-6-25(24)28-14-21)19-7-8-30(26(31)12-19)15-18-3-2-4-20(27)11-18/h2-5,7-8,11-14,22H,6,9-10,15-17H2,1H3
InChIKeyHZAUCCUWYINFFI-UHFFFAOYSA-N
MW463.97 g/mol
LogP3.78
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one

1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one (PubChem CID 158629782) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one
PubChem CID158629782
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one
SMILESCOCC1CN(c2cnc3c(c2)C(c2ccn(Cc4cccc(Cl)c4)c(=O)c2)=CC3)CCO1
InChIInChI=1S/C26H26ClN3O3/c1-32-17-22-16-29(9-10-33-22)21-13-24-23(5-6-25(24)28-14-21)19-7-8-30(26(31)12-19)15-18-3-2-4-20(27)11-18/h2-5,7-8,11-14,22H,6,9-10,15-17H2,1H3
InChIKeyHZAUCCUWYINFFI-UHFFFAOYSA-N
XLogP3.78
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one (CID 158629782) is 1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one is COCC1CN(c2cnc3c(c2)C(c2ccn(Cc4cccc(Cl)c4)c(=O)c2)=CC3)CCO1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one?
The InChIKey is HZAUCCUWYINFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-32-17-22-16-29(9-10-33-22)21-13-24-23(5-6-25(24)28-14-21)19-7-8-30(26(31)12-19)15-18-3-2-4-20(27)11-18/h2-5,7-8,11-14,22H,6,9-10,15-17H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one?
1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one has a molecular weight of 463.97 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one is sourced from PubChem (CID 158629782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).