[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone

C26H27N5O — CID 20916120

IUPAC[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)nc4cccnc43)cc2)CC1
InChIInChI=1S/C26H27N5O/c1-2-15-29-16-18-30(19-17-29)26(32)21-10-12-22(13-11-21)31-24(20-7-4-3-5-8-20)28-23-9-6-14-27-25(23)31/h3-14H,2,15-19H2,1H3
InChIKeySDKHTYORRMXWJG-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.26
Rot. Bonds5

About [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone

[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 20916120) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone
PubChem CID20916120
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)nc4cccnc43)cc2)CC1
InChIInChI=1S/C26H27N5O/c1-2-15-29-16-18-30(19-17-29)26(32)21-10-12-22(13-11-21)31-24(20-7-4-3-5-8-20)28-23-9-6-14-27-25(23)31/h3-14H,2,15-19H2,1H3
InChIKeySDKHTYORRMXWJG-UHFFFAOYSA-N
XLogP4.26
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone
CID 20916124
N-(2-morpholin-4-ylethyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916111
[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149042
N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916098
2-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-propan-2-ylacetamide
CID 20916212
[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149035
4-(2-phenylimidazo[4,5-b]pyridin-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 20916096
(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149033
methyl 4-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzoate
CID 90560568
[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 53148865
[4-(dimethylamino)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560717
N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389499

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone (CID 20916120) is [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)nc4cccnc43)cc2)CC1.
What is the InChIKey of [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is SDKHTYORRMXWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-2-15-29-16-18-30(19-17-29)26(32)21-10-12-22(13-11-21)31-24(20-7-4-3-5-8-20)28-23-9-6-14-27-25(23)31/h3-14H,2,15-19H2,1H3.
What are the key properties of [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone?
[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 425.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 20916120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).