benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate

C32H35N3O4 — CID 90378325

IUPACbenzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
SMILESO=C(c1ccc(OC(C2CC2)C2CC2)cc1)N(C1CC1)C1CCc2nn(C(=O)OCc3ccccc3)cc2C1
InChIInChI=1S/C32H35N3O4/c36-31(24-10-15-28(16-11-24)39-30(22-6-7-22)23-8-9-23)35(26-12-13-26)27-14-17-29-25(18-27)19-34(33-29)32(37)38-20-21-4-2-1-3-5-21/h1-5,10-11,15-16,19,22-23,26-27,30H,6-9,12-14,17-18,20H2
InChIKeyDCOUSIJWTIMPDQ-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.80
Rot. Bonds9

About benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate

benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate (PubChem CID 90378325) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate.

Molecular Properties

Compound Namebenzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
PubChem CID90378325
Molecular FormulaC32H35N3O4
Molecular Weight525.65 g/mol
Exact Mass525.26
IUPAC Namebenzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
SMILESO=C(c1ccc(OC(C2CC2)C2CC2)cc1)N(C1CC1)C1CCc2nn(C(=O)OCc3ccccc3)cc2C1
InChIInChI=1S/C32H35N3O4/c36-31(24-10-15-28(16-11-24)39-30(22-6-7-22)23-8-9-23)35(26-12-13-26)27-14-17-29-25(18-27)19-34(33-29)32(37)38-20-21-4-2-1-3-5-21/h1-5,10-11,15-16,19,22-23,26-27,30H,6-9,12-14,17-18,20H2
InChIKeyDCOUSIJWTIMPDQ-UHFFFAOYSA-N
XLogP5.80
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 5-[cyclopropyl-(4-nitrosobenzoyl)amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378362
benzyl 5-[cyclopropyl-[4-(3,5-difluoro-2-pyridinyl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378070
benzyl 5-(cyclopropylamino)-4,5,6,7-tetrahydroindazole-2-carboxylate;dihydrochloride
CID 172699002
tert-butyl 5-[cyclopropyl-[4-(trifluoromethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378302
(1-azido-2-methylpropan-2-yl) 5-[cyclopropyl-(3-methyl-4-phenylbenzoyl)amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378094
N-cyclopropyl-N-(4-oxocyclohexyl)-4-propan-2-yloxybenzamide
CID 90370061
(1-azido-2-methylpropan-2-yl) 5-[cyclopropyl-[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378165
methyl 5-[(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-2-oxopyrrolidin-1-yl]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 143567957
tert-butyl 5-[cyclopropyl-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 129300458
tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379282
benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate
CID 90370124
benzyl 4-propan-2-yloxybenzoate
CID 70079883

Frequently Asked Questions

What is the IUPAC name of benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
The IUPAC name of benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate (CID 90378325) is benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate.
What is the SMILES notation for benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
The canonical SMILES for benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate is O=C(c1ccc(OC(C2CC2)C2CC2)cc1)N(C1CC1)C1CCc2nn(C(=O)OCc3ccccc3)cc2C1.
What is the InChIKey of benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
The InChIKey is DCOUSIJWTIMPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4/c36-31(24-10-15-28(16-11-24)39-30(22-6-7-22)23-8-9-23)35(26-12-13-26)27-14-17-29-25(18-27)19-34(33-29)32(37)38-20-21-4-2-1-3-5-21/h1-5,10-11,15-16,19,22-23,26-27,30H,6-9,12-14,17-18,20H2.
What are the key properties of benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate has a molecular weight of 525.65 g/mol, XLogP of 5.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-[cyclopropyl-[4-(dicyclopropylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate is sourced from PubChem (CID 90378325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).