1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one

C24H29N5O4S — CID 123135918

IUPAC1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCc1cc2c(cc1Sc1nc3c(N)nccc3n1CCC1CCN(C(=O)C(C)O)CC1)OCO2
InChIInChI=1S/C24H29N5O4S/c1-14-11-18-19(33-13-32-18)12-20(14)34-24-27-21-17(3-7-26-22(21)25)29(24)10-6-16-4-8-28(9-5-16)23(31)15(2)30/h3,7,11-12,15-16,30H,4-6,8-10,13H2,1-2H3,(H2,25,26)
InChIKeyRVMBSERNXZABAK-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.21
Rot. Bonds6

About 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one

1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 123135918) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID123135918
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCc1cc2c(cc1Sc1nc3c(N)nccc3n1CCC1CCN(C(=O)C(C)O)CC1)OCO2
InChIInChI=1S/C24H29N5O4S/c1-14-11-18-19(33-13-32-18)12-20(14)34-24-27-21-17(3-7-26-22(21)25)29(24)10-6-16-4-8-28(9-5-16)23(31)15(2)30/h3,7,11-12,15-16,30H,4-6,8-10,13H2,1-2H3,(H2,25,26)
InChIKeyRVMBSERNXZABAK-UHFFFAOYSA-N
XLogP3.21
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one with MolForge

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Related Compounds

6-[6-Amino-9-[2-(1-formylpiperidin-4-yl)ethyl]purin-8-yl]sulfanyl-1,3-benzodioxole-5-carbonitrile
CID 71451644
1-(2-(Neopentylamino)ethyl)-2-(6-vinylbenzo[d][1,3]dioxol-5-ylthio)-1h-imidazo[4,5-c]pyridin-4-amine
CID 25069566
2-(6-Ethylbenzo[d][1,3]dioxol-5-ylthio)-1-(2-(neopentylamino)ethyl)-1h-imidazo[4,5-c]pyridin-4-amine
CID 25069567
6-(4-Amino-1-(2-(neopentylamino)ethyl)-1h-imidazo[4,5-c]pyridin-2-ylthio)benzo[d][1,3]dioxole-5-carbonitrile
CID 25069571
2-[(6-Iodo-1,3-benzodioxol-5-yl)sulfanyl]-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine
CID 25073666
N-[2-[4-amino-2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]acetamide
CID 25073974
N-[3-[4-amino-2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]propyl]acetamide
CID 25073976
n-(4-(4-Amino-2-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-1h-imidazo[4,5-c]pyridin-1-yl)butyl)acetamide
CID 25074285
2-(6-Tert-butylbenzo[d][1,3]dioxol-5-ylthio)-1-(2-(neopentylamino)ethyl)-1h-imidazo[4,5-c]pyridin-4-amine
CID 25069568
1-[2-(2,2-Dimethylpropylamino)ethyl]-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-4-amine
CID 59808752
1-[2-(2,2-Dimethylpropylamino)ethyl]-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-4-amine
CID 25069887
1-[4-[2-[4-Amino-2-[[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 53374060

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 123135918) is 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one is Cc1cc2c(cc1Sc1nc3c(N)nccc3n1CCC1CCN(C(=O)C(C)O)CC1)OCO2.
What is the InChIKey of 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is RVMBSERNXZABAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-14-11-18-19(33-13-32-18)12-20(14)34-24-27-21-17(3-7-26-22(21)25)29(24)10-6-16-4-8-28(9-5-16)23(31)15(2)30/h3,7,11-12,15-16,30H,4-6,8-10,13H2,1-2H3,(H2,25,26).
What are the key properties of 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one?
1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 483.59 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-amino-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 123135918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).