7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide

C19H20N4O2S — CID 26784578

IUPAC7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide
SMILESCc1ccn2cc(C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)nc2c1
InChIInChI=1S/C19H20N4O2S/c1-11-3-4-15-13(7-11)9-16(26-15)19(25)22-21-18(24)14-10-23-6-5-12(2)8-17(23)20-14/h5-6,8-11H,3-4,7H2,1-2H3,(H,21,24)(H,22,25)/t11-/m1/s1
InChIKeySYXALWLSVFXXBP-LLVKDONJSA-N
MW368.46 g/mol
LogP2.90
Rot. Bonds2

About 7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide

7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide (PubChem CID 26784578) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide
PubChem CID26784578
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide
SMILESCc1ccn2cc(C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)nc2c1
InChIInChI=1S/C19H20N4O2S/c1-11-3-4-15-13(7-11)9-16(26-15)19(25)22-21-18(24)14-10-23-6-5-12(2)8-17(23)20-14/h5-6,8-11H,3-4,7H2,1-2H3,(H,21,24)(H,22,25)/t11-/m1/s1
InChIKeySYXALWLSVFXXBP-LLVKDONJSA-N
XLogP2.90
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]pyridine-4-carbohydrazide
CID 7678009
1-(2-methoxyethyl)-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 46656863
5-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)furan-2-carbohydrazide
CID 51163452
4-methyl-N'-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]thiadiazole-5-carbohydrazide
CID 9090697
3,5-dimethyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,2-oxazole-4-carbohydrazide
CID 9152915
2,4,5-trimethyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 55552186
2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 86822827
N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 46612306
(5S)-5-methyl-N'-(1-pyridin-4-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2499128
7-methyl-N'-(2-methylbenzoyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 47013435
N-cycloheptyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723824
1-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-3-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 87008792

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide?
The IUPAC name of 7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide (CID 26784578) is 7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide.
What is the SMILES notation for 7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide?
The canonical SMILES for 7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide is Cc1ccn2cc(C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)nc2c1.
What is the InChIKey of 7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide?
The InChIKey is SYXALWLSVFXXBP-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-11-3-4-15-13(7-11)9-16(26-15)19(25)22-21-18(24)14-10-23-6-5-12(2)8-17(23)20-14/h5-6,8-11H,3-4,7H2,1-2H3,(H,21,24)(H,22,25)/t11-/m1/s1.
What are the key properties of 7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide?
7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide has a molecular weight of 368.46 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide is sourced from PubChem (CID 26784578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).