3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide

C18H18N4OS — CID 95384792

IUPAC3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C18H18N4OS/c1-12-8-10-24-17(12)18(23)21-14-5-4-6-15-13(14)11-20-22(15)16-7-2-3-9-19-16/h2-3,7-11,14H,4-6H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyWGOYGACACVNOQO-AWEZNQCLSA-N
MW338.44 g/mol
LogP3.44
Rot. Bonds3

About 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide

3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide (PubChem CID 95384792) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
PubChem CID95384792
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C18H18N4OS/c1-12-8-10-24-17(12)18(23)21-14-5-4-6-15-13(14)11-20-22(15)16-7-2-3-9-19-16/h2-3,7-11,14H,4-6H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyWGOYGACACVNOQO-AWEZNQCLSA-N
XLogP3.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-methyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-5-carboxamide
CID 95202854
1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384756
5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384778
3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 95384794
3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 110225912
(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 95857278
1-ethyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384965
2-(5-methylpyrazol-1-yl)-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731383
5-(methoxymethyl)-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
CID 42095333
5-(2-methylpropyl)-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 97142495
1-ethyl-3-propan-2-yl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 97118953
5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384654

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide (CID 95384792) is 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide is Cc1ccsc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1.
What is the InChIKey of 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The InChIKey is WGOYGACACVNOQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-8-10-24-17(12)18(23)21-14-5-4-6-15-13(14)11-20-22(15)16-7-2-3-9-19-16/h2-3,7-11,14H,4-6H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95384792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).