N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C24H24N4OS — CID 51966933

IUPACN-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccn1Cc1cccs1
InChIInChI=1S/C24H24N4OS/c29-24(23-12-5-13-27(23)17-19-9-6-14-30-19)26-21-10-4-11-22-20(21)15-25-28(22)16-18-7-2-1-3-8-18/h1-3,5-9,12-15,21H,4,10-11,16-17H2,(H,26,29)/t21-/m1/s1
InChIKeyRPDQPYDLVLKYJP-OAQYLSRUSA-N
MW416.55 g/mol
LogP4.65
Rot. Bonds6

About N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 51966933) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID51966933
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC NameN-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccn1Cc1cccs1
InChIInChI=1S/C24H24N4OS/c29-24(23-12-5-13-27(23)17-19-9-6-14-30-19)26-21-10-4-11-22-20(21)15-25-28(22)16-18-7-2-1-3-8-18/h1-3,5-9,12-15,21H,4,10-11,16-17H2,(H,26,29)/t21-/m1/s1
InChIKeyRPDQPYDLVLKYJP-OAQYLSRUSA-N
XLogP4.65
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide with MolForge

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Related Compounds

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55637295
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110236802
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1,4-thiazepane-4-carboxamide
CID 87007748
methyl 5-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
CID 167751058
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 71935632
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 51966933) is N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccn1Cc1cccs1.
What is the InChIKey of N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is RPDQPYDLVLKYJP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4OS/c29-24(23-12-5-13-27(23)17-19-9-6-14-30-19)26-21-10-4-11-22-20(21)15-25-28(22)16-18-7-2-1-3-8-18/h1-3,5-9,12-15,21H,4,10-11,16-17H2,(H,26,29)/t21-/m1/s1.
What are the key properties of N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 51966933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).