propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate

C23H25N5O4 — CID 129300658

IUPACpropan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
SMILESCC(C)OC(=O)n1cc2c(n1)CCC(N(C(=O)c1ccc(-c3ncon3)cc1)C1CC1)C2
InChIInChI=1S/C23H25N5O4/c1-14(2)32-23(30)27-12-17-11-19(9-10-20(17)25-27)28(18-7-8-18)22(29)16-5-3-15(4-6-16)21-24-13-31-26-21/h3-6,12-14,18-19H,7-11H2,1-2H3
InChIKeyOGFMOIKELWTWFO-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.49
Rot. Bonds5

About propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate

propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate (PubChem CID 129300658) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
PubChem CID129300658
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Namepropan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
SMILESCC(C)OC(=O)n1cc2c(n1)CCC(N(C(=O)c1ccc(-c3ncon3)cc1)C1CC1)C2
InChIInChI=1S/C23H25N5O4/c1-14(2)32-23(30)27-12-17-11-19(9-10-20(17)25-27)28(18-7-8-18)22(29)16-5-3-15(4-6-16)21-24-13-31-26-21/h3-6,12-14,18-19H,7-11H2,1-2H3
InChIKeyOGFMOIKELWTWFO-UHFFFAOYSA-N
XLogP3.49
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Tert-butyl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379245
N-cyclopropyl-4-(1,2,4-oxadiazol-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90382059
[4-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(4,5,6,7-tetrahydroindazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 166083914
[4-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-(4,5,6,7-tetrahydroindazol-2-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 166083961
[4-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-[6-[3-(1-methylcyclopropyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 166083988
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methylbenzamide
CID 77085080
4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide
CID 166411644

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
The IUPAC name of propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate (CID 129300658) is propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
The canonical SMILES for propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate is CC(C)OC(=O)n1cc2c(n1)CCC(N(C(=O)c1ccc(-c3ncon3)cc1)C1CC1)C2.
What is the InChIKey of propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
The InChIKey is OGFMOIKELWTWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14(2)32-23(30)27-12-17-11-19(9-10-20(17)25-27)28(18-7-8-18)22(29)16-5-3-15(4-6-16)21-24-13-31-26-21/h3-6,12-14,18-19H,7-11H2,1-2H3.
What are the key properties of propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate is sourced from PubChem (CID 129300658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).