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

C19H24N4O2S — CID 83275598

IUPACN-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C19H24N4O2S/c1-22-16-11-23(18(24)9-13-6-8-26-12-13)7-5-15(16)21-17(22)10-20-19(25)14-3-2-4-14/h6,8,12,14H,2-5,7,9-11H2,1H3,(H,20,25)
InChIKeyHJYDKKGGKKJKPB-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.03
Rot. Bonds5

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

N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 83275598) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID83275598
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C19H24N4O2S/c1-22-16-11-23(18(24)9-13-6-8-26-12-13)7-5-15(16)21-17(22)10-20-19(25)14-3-2-4-14/h6,8,12,14H,2-5,7,9-11H2,1H3,(H,20,25)
InChIKeyHJYDKKGGKKJKPB-UHFFFAOYSA-N
XLogP2.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide with MolForge

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Related Compounds

CCR5 antagonist 2
CID 122668179
CCR5 antagonist 3
CID 122668182
US10167299, Example 43
CID 122668181
US10167299, Example 42
CID 122668184
US10167299, Example 145
CID 122668131
N~1~-[(3-methyl-5-{[5-(trifluoromethyl)-2-thienyl]carbonyl}-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-cyclobutanecarboxamide
CID 53191042
N-[[3-ethyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 53191060
N-methyl-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 71932831
N-({3-ethyl-5-[(5-methyl-2-thienyl)carbonyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl}methyl)propanamide
CID 83277485
1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97467308
1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97467334
1-[2-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97467348

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (CID 83275598) is N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is Cn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)Cc1ccsc1)CC2.
What is the InChIKey of N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is HJYDKKGGKKJKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-22-16-11-23(18(24)9-13-6-8-26-12-13)7-5-15(16)21-17(22)10-20-19(25)14-3-2-4-14/h6,8,12,14H,2-5,7,9-11H2,1H3,(H,20,25).
What are the key properties of N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 83275598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).