2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one

C18H16ClN5O — CID 177337195

IUPAC2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one
SMILESO=C1NC2(CC(c3ccccc3Cl)C2)CN1c1cncc2[nH]cnc12
InChIInChI=1S/C18H16ClN5O/c19-13-4-2-1-3-12(13)11-5-18(6-11)9-24(17(25)23-18)15-8-20-7-14-16(15)22-10-21-14/h1-4,7-8,10-11H,5-6,9H2,(H,21,22)(H,23,25)
InChIKeyYZLWKJDTVLPWHV-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.46
Rot. Bonds2

About 2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one

2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 177337195) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one
PubChem CID177337195
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one
SMILESO=C1NC2(CC(c3ccccc3Cl)C2)CN1c1cncc2[nH]cnc12
InChIInChI=1S/C18H16ClN5O/c19-13-4-2-1-3-12(13)11-5-18(6-11)9-24(17(25)23-18)15-8-20-7-14-16(15)22-10-21-14/h1-4,7-8,10-11H,5-6,9H2,(H,21,22)(H,23,25)
InChIKeyYZLWKJDTVLPWHV-UHFFFAOYSA-N
XLogP3.46
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one (CID 177337195) is 2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one is O=C1NC2(CC(c3ccccc3Cl)C2)CN1c1cncc2[nH]cnc12.
What is the InChIKey of 2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is YZLWKJDTVLPWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c19-13-4-2-1-3-12(13)11-5-18(6-11)9-24(17(25)23-18)15-8-20-7-14-16(15)22-10-21-14/h1-4,7-8,10-11H,5-6,9H2,(H,21,22)(H,23,25).
What are the key properties of 2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one?
2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 353.81 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7-(3H-imidazo[4,5-c]pyridin-7-yl)-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 177337195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).