1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C20H28N4O2S — CID 45273832

IUPAC1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)Cc1nc2c(n1CC1CC1)CCN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C20H28N4O2S/c1-20(2,3)11-19-22-17-14-23(27(25,26)16-5-4-9-21-12-16)10-8-18(17)24(19)13-15-6-7-15/h4-5,9,12,15H,6-8,10-11,13-14H2,1-3H3
InChIKeyUJBWJNIDWMLPBD-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.02
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 45273832) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID45273832
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)Cc1nc2c(n1CC1CC1)CCN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C20H28N4O2S/c1-20(2,3)11-19-22-17-14-23(27(25,26)16-5-4-9-21-12-16)10-8-18(17)24(19)13-15-6-7-15/h4-5,9,12,15H,6-8,10-11,13-14H2,1-3H3
InChIKeyUJBWJNIDWMLPBD-UHFFFAOYSA-N
XLogP3.02
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 45273832) is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)(C)Cc1nc2c(n1CC1CC1)CCN(S(=O)(=O)c1cccnc1)C2.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is UJBWJNIDWMLPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-20(2,3)11-19-22-17-14-23(27(25,26)16-5-4-9-21-12-16)10-8-18(17)24(19)13-15-6-7-15/h4-5,9,12,15H,6-8,10-11,13-14H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 388.54 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 45273832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).