7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

C28H28ClN5O2 — CID 66834065

IUPAC7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESO=C(Nc1cnc2[nH]ccc2c1)N1CC2(CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)C1
InChIInChI=1S/C28H28ClN5O2/c29-22-4-6-24(7-5-22)36-25-3-1-2-20(14-25)17-33-12-9-28(10-13-33)18-34(19-28)27(35)32-23-15-21-8-11-30-26(21)31-16-23/h1-8,11,14-16H,9-10,12-13,17-19H2,(H,30,31)(H,32,35)
InChIKeyXXORIRONIFRBGZ-UHFFFAOYSA-N
MW502.02 g/mol
LogP6.14
Rot. Bonds5

About 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 66834065) has the molecular formula C28H28ClN5O2 and a molecular weight of 502.02 g/mol. Its IUPAC name is 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID66834065
Molecular FormulaC28H28ClN5O2
Molecular Weight502.02 g/mol
Exact Mass501.19
IUPAC Name7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESO=C(Nc1cnc2[nH]ccc2c1)N1CC2(CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)C1
InChIInChI=1S/C28H28ClN5O2/c29-22-4-6-24(7-5-22)36-25-3-1-2-20(14-25)17-33-12-9-28(10-13-33)18-34(19-28)27(35)32-23-15-21-8-11-30-26(21)31-16-23/h1-8,11,14-16H,9-10,12-13,17-19H2,(H,30,31)(H,32,35)
InChIKeyXXORIRONIFRBGZ-UHFFFAOYSA-N
XLogP6.14
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.02
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 66834065) is 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is O=C(Nc1cnc2[nH]ccc2c1)N1CC2(CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)C1.
What is the InChIKey of 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is XXORIRONIFRBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O2/c29-22-4-6-24(7-5-22)36-25-3-1-2-20(14-25)17-33-12-9-28(10-13-33)18-34(19-28)27(35)32-23-15-21-8-11-30-26(21)31-16-23/h1-8,11,14-16H,9-10,12-13,17-19H2,(H,30,31)(H,32,35).
What are the key properties of 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 502.02 g/mol, XLogP of 6.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 66834065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).