4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine

C24H26N6O2 — CID 118414185

IUPAC4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCC(C)(c4nc(-c5ccc6c(c5)OCO6)c(C)[nH]4)CC3)ncnc2[nH]1
InChIInChI=1S/C24H26N6O2/c1-14-10-17-21(27-14)25-12-26-22(17)30-8-6-24(3,7-9-30)23-28-15(2)20(29-23)16-4-5-18-19(11-16)32-13-31-18/h4-5,10-12H,6-9,13H2,1-3H3,(H,28,29)(H,25,26,27)
InChIKeyFJPRVZNCNUAPDE-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.25
Rot. Bonds3

About 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine

4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118414185) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID118414185
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCC(C)(c4nc(-c5ccc6c(c5)OCO6)c(C)[nH]4)CC3)ncnc2[nH]1
InChIInChI=1S/C24H26N6O2/c1-14-10-17-21(27-14)25-12-26-22(17)30-8-6-24(3,7-9-30)23-28-15(2)20(29-23)16-4-5-18-19(11-16)32-13-31-18/h4-5,10-12H,6-9,13H2,1-3H3,(H,28,29)(H,25,26,27)
InChIKeyFJPRVZNCNUAPDE-UHFFFAOYSA-N
XLogP4.25
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine 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

6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
SB-505124
CID 9858940
2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195228
8-Benzo(1,3)Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine
CID 448976
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
8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9H-
CID 448968
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
N~6~-[2-(3,4-dimethoxyphenyl)ethyl]-9H-purine-2,6-diamine
CID 16409604
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 857997
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-amine
CID 3205757
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 2015821
2-(3,4-Dimethoxy-phenyl)-1H-imidazo[4,5-c]pyridine
CID 9551687

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 118414185) is 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1cc2c(N3CCC(C)(c4nc(-c5ccc6c(c5)OCO6)c(C)[nH]4)CC3)ncnc2[nH]1.
What is the InChIKey of 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is FJPRVZNCNUAPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14-10-17-21(27-14)25-12-26-22(17)30-8-6-24(3,7-9-30)23-28-15(2)20(29-23)16-4-5-18-19(11-16)32-13-31-18/h4-5,10-12H,6-9,13H2,1-3H3,(H,28,29)(H,25,26,27).
What are the key properties of 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 430.51 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118414185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).