5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid

C27H27N5O3 — CID 90370049

IUPAC5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid
SMILESCC(c1ccccc1)n1ncc2c(C(=O)N(C3CC3)C3CCc4nn(C(=O)O)cc4C3)cccc21
InChIInChI=1S/C27H27N5O3/c1-17(18-6-3-2-4-7-18)32-25-9-5-8-22(23(25)15-28-32)26(33)31(20-10-11-20)21-12-13-24-19(14-21)16-30(29-24)27(34)35/h2-9,15-17,20-21H,10-14H2,1H3,(H,34,35)
InChIKeyBFSCUEVTBBALKX-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.53
Rot. Bonds5

About 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid

5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid (PubChem CID 90370049) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid
PubChem CID90370049
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid
SMILESCC(c1ccccc1)n1ncc2c(C(=O)N(C3CC3)C3CCc4nn(C(=O)O)cc4C3)cccc21
InChIInChI=1S/C27H27N5O3/c1-17(18-6-3-2-4-7-18)32-25-9-5-8-22(23(25)15-28-32)26(33)31(20-10-11-20)21-12-13-24-19(14-21)16-30(29-24)27(34)35/h2-9,15-17,20-21H,10-14H2,1H3,(H,34,35)
InChIKeyBFSCUEVTBBALKX-UHFFFAOYSA-N
XLogP4.53
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid with MolForge

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Related Compounds

N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide
CID 90370081
tert-butyl 5-[cyclopropyl-(1-phenylindazole-4-carbonyl)amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379340
tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379282
(1-azido-2-methylpropan-2-yl) 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378053
tert-butyl 5-[cyclopropyl-(1-methylsulfonylindole-4-carbonyl)amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379241
tert-butyl 5-[cyclopropyl-[4-[2-(hydroxymethyl)phenyl]benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90370102
benzyl 5-[cyclopropyl-(4-nitrosobenzoyl)amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378362
benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378325
tert-butyl 5-[cyclopropyl-[4-(trifluoromethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378302
N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide
CID 160659542
benzyl 5-[cyclopropyl-[4-(3,5-difluoro-2-pyridinyl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378070
tert-butyl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379245

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid (CID 90370049) is 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid is CC(c1ccccc1)n1ncc2c(C(=O)N(C3CC3)C3CCc4nn(C(=O)O)cc4C3)cccc21.
What is the InChIKey of 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid?
The InChIKey is BFSCUEVTBBALKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-17(18-6-3-2-4-7-18)32-25-9-5-8-22(23(25)15-28-32)26(33)31(20-10-11-20)21-12-13-24-19(14-21)16-30(29-24)27(34)35/h2-9,15-17,20-21H,10-14H2,1H3,(H,34,35).
What are the key properties of 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid?
5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid has a molecular weight of 469.55 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid is sourced from PubChem (CID 90370049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).