1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine

C22H31N5O2S — CID 145479874

IUPAC1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine
SMILESCc1cc2c(cc1Sc1nc3c(n1CCCNCC(C)(C)C)=CCNC=3N)OCO2
InChIInChI=1S/C22H31N5O2S/c1-14-10-16-17(29-13-28-16)11-18(14)30-21-26-19-15(6-8-25-20(19)23)27(21)9-5-7-24-12-22(2,3)4/h6,10-11,24-25H,5,7-9,12-13,23H2,1-4H3
InChIKeyLUNZAYNYDHISQM-UHFFFAOYSA-N
MW429.59 g/mol
LogP1.51
Rot. Bonds7

About 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine

1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine (PubChem CID 145479874) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine
PubChem CID145479874
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC Name1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine
SMILESCc1cc2c(cc1Sc1nc3c(n1CCCNCC(C)(C)C)=CCNC=3N)OCO2
InChIInChI=1S/C22H31N5O2S/c1-14-10-16-17(29-13-28-16)11-18(14)30-21-26-19-15(6-8-25-20(19)23)27(21)9-5-7-24-12-22(2,3)4/h6,10-11,24-25H,5,7-9,12-13,23H2,1-4H3
InChIKeyLUNZAYNYDHISQM-UHFFFAOYSA-N
XLogP1.51
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine 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

2-[(6-tert-butyl-1,3-benzodioxol-5-yl)sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine
CID 25069568
1-[2-(2,2-dimethylpropylamino)ethyl]-2-[(6-pyrrolidin-1-yl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-4-amine
CID 59808754
N-[2-[2-[(6-methoxy-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]-2,2-dimethylpropan-1-amine
CID 150287110
4-[6-[4-amino-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanyl-1,3-benzodioxol-5-yl]butan-2-one
CID 152877878
ethane;2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1-pent-4-ynylimidazo[4,5-c]pyridin-4-amine
CID 145479860
2-[6-amino-8-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]-N-methylethanesulfonamide
CID 167039860
[1-[3-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-2,3-dihydropurin-9-yl]propylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 137169529
ethyl 2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]acetate
CID 59808546
ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide
CID 145477719
2-[6-amino-8-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl acetate
CID 59803555
6-[3-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]propylamino]hexyl-tert-butylcarbamic acid
CID 175285876
2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-1-[3-(propan-2-ylamino)propyl]benzimidazol-4-amine
CID 78427946

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine (CID 145479874) is 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine is Cc1cc2c(cc1Sc1nc3c(n1CCCNCC(C)(C)C)=CCNC=3N)OCO2.
What is the InChIKey of 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine?
The InChIKey is LUNZAYNYDHISQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-14-10-16-17(29-13-28-16)11-18(14)30-21-26-19-15(6-8-25-20(19)23)27(21)9-5-7-24-12-22(2,3)4/h6,10-11,24-25H,5,7-9,12-13,23H2,1-4H3.
What are the key properties of 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine?
1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine has a molecular weight of 429.59 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropylamino)propyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-5,6-dihydroimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 145479874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).