(2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

C23H36N4O2 — CID 94663931

IUPAC(2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C23H36N4O2/c1-23(2,3)27-19-12-7-11-18(17(19)15-24-27)25-21(28)20-13-8-14-26(20)22(29)16-9-5-4-6-10-16/h15-16,18,20H,4-14H2,1-3H3,(H,25,28)/t18-,20-/m0/s1
InChIKeyKFVDLQILSNZYEY-ICSRJNTNSA-N
MW400.57 g/mol
LogP3.70
Rot. Bonds3

About (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

(2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 94663931) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID94663931
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name(2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C23H36N4O2/c1-23(2,3)27-19-12-7-11-18(17(19)15-24-27)25-21(28)20-13-8-14-26(20)22(29)16-9-5-4-6-10-16/h15-16,18,20H,4-14H2,1-3H3,(H,25,28)/t18-,20-/m0/s1
InChIKeyKFVDLQILSNZYEY-ICSRJNTNSA-N
XLogP3.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 124742117
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
(2S,3R)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94137013
2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669069
2-[acetyl(methyl)amino]-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669068
1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
CID 47998684
tert-butyl 2-[[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]piperidine-1-carboxylate
CID 46916315
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[(S)-methylsulfinyl]benzamide
CID 94669043
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 94379747
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 56731356
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 95384960

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (CID 94663931) is (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is KFVDLQILSNZYEY-ICSRJNTNSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-23(2,3)27-19-12-7-11-18(17(19)15-24-27)25-21(28)20-13-8-14-26(20)22(29)16-9-5-4-6-10-16/h15-16,18,20H,4-14H2,1-3H3,(H,25,28)/t18-,20-/m0/s1.
What are the key properties of (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94663931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).