N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide

C17H21ClN4O3S2 — CID 53191095

IUPACN-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(S(=O)(=O)c1ccc(Cl)s1)CC2
InChIInChI=1S/C17H21ClN4O3S2/c1-21-13-10-22(27(24,25)16-6-5-14(18)26-16)8-7-12(13)20-15(21)9-19-17(23)11-3-2-4-11/h5-6,11H,2-4,7-10H2,1H3,(H,19,23)
InChIKeyHTAGLSGAAHDITC-UHFFFAOYSA-N
MW428.97 g/mol
LogP2.30
Rot. Bonds5

About N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 53191095) has the molecular formula C17H21ClN4O3S2 and a molecular weight of 428.97 g/mol. Its IUPAC name is N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID53191095
Molecular FormulaC17H21ClN4O3S2
Molecular Weight428.97 g/mol
Exact Mass428.07
IUPAC NameN-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(S(=O)(=O)c1ccc(Cl)s1)CC2
InChIInChI=1S/C17H21ClN4O3S2/c1-21-13-10-22(27(24,25)16-6-5-14(18)26-16)8-7-12(13)20-15(21)9-19-17(23)11-3-2-4-11/h5-6,11H,2-4,7-10H2,1H3,(H,19,23)
InChIKeyHTAGLSGAAHDITC-UHFFFAOYSA-N
XLogP2.30
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.97
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (CID 53191095) is N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is Cn1c(CNC(=O)C2CCC2)nc2c1CN(S(=O)(=O)c1ccc(Cl)s1)CC2.
What is the InChIKey of N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is HTAGLSGAAHDITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S2/c1-21-13-10-22(27(24,25)16-6-5-14(18)26-16)8-7-12(13)20-15(21)9-19-17(23)11-3-2-4-11/h5-6,11H,2-4,7-10H2,1H3,(H,19,23).
What are the key properties of N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 428.97 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 53191095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).