1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone

C27H26N4O3 — CID 42407695

IUPAC1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1Cc1nc2cccnc2n1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C27H26N4O3/c1-18-5-2-3-6-19(18)16-25-29-22-7-4-12-28-26(22)31(25)21-10-13-30(14-11-21)27(32)20-8-9-23-24(15-20)34-17-33-23/h2-9,12,15,21H,10-11,13-14,16-17H2,1H3
InChIKeyBGUDUUXATFAZIG-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.54
Rot. Bonds4

About 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 42407695) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
PubChem CID42407695
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1Cc1nc2cccnc2n1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C27H26N4O3/c1-18-5-2-3-6-19(18)16-25-29-22-7-4-12-28-26(22)31(25)21-10-13-30(14-11-21)27(32)20-8-9-23-24(15-20)34-17-33-23/h2-9,12,15,21H,10-11,13-14,16-17H2,1H3
InChIKeyBGUDUUXATFAZIG-UHFFFAOYSA-N
XLogP4.54
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide
CID 4521392
SIS3 free base
CID 10138988
Bay 61-3606
CID 10200390
Sis3
CID 16079005
[1-[[3-(1,3-Benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 397855
[1-(3-Benzo[1,3]dioxol-5-ylmethyl-3H-imidazol-4-ylmethyl)-4-naphthalen-1-yl-1H-pyrrol-3-yl]-morpholin-4-yl-methanone
CID 9828040
7-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10548259
N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-4-(phenylcarbonyl)-2-piperazineacetamide
CID 16114868
3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 16116043
21-(2-Imidazol-1-ylethyl)-16,17-dimethoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 25023633
21-(2-Imidazol-1-ylethyl)-16,17-dimethoxy-5,7-dioxa-11,12,21-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 44449005
[1-[[3-(1,3-Benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 45261470

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone (CID 42407695) is 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone is Cc1ccccc1Cc1nc2cccnc2n1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
The InChIKey is BGUDUUXATFAZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-18-5-2-3-6-19(18)16-25-29-22-7-4-12-28-26(22)31(25)21-10-13-30(14-11-21)27(32)20-8-9-23-24(15-20)34-17-33-23/h2-9,12,15,21H,10-11,13-14,16-17H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 454.53 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42407695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).