tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate

C25H31N5O4 — CID 90379282

IUPACtert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
SMILESCC(C)(C)OC(=O)n1cc2c(n1)CCC(N(C(=O)c1cccc3c1cnn3CCO)C1CC1)C2
InChIInChI=1S/C25H31N5O4/c1-25(2,3)34-24(33)29-15-16-13-18(9-10-21(16)27-29)30(17-7-8-17)23(32)19-5-4-6-22-20(19)14-26-28(22)11-12-31/h4-6,14-15,17-18,31H,7-13H2,1-3H3
InChIKeyNXMUTTKABKPYPN-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.17
Rot. Bonds5

About tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate

tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate (PubChem CID 90379282) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
PubChem CID90379282
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Nametert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
SMILESCC(C)(C)OC(=O)n1cc2c(n1)CCC(N(C(=O)c1cccc3c1cnn3CCO)C1CC1)C2
InChIInChI=1S/C25H31N5O4/c1-25(2,3)34-24(33)29-15-16-13-18(9-10-21(16)27-29)30(17-7-8-17)23(32)19-5-4-6-22-20(19)14-26-28(22)11-12-31/h4-6,14-15,17-18,31H,7-13H2,1-3H3
InChIKeyNXMUTTKABKPYPN-UHFFFAOYSA-N
XLogP3.17
TPSA102.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate with MolForge

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Related Compounds

(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-phenylindazole-4-carbonyl)amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379340
(1-azido-2-methylpropan-2-yl) 5-[[1-[4-azido-3,3-bis(azidomethyl)butyl]indazole-4-carbonyl]-cyclopropylamino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 129300813
tert-butyl 5-[cyclopropyl-(1-methylsulfonylindole-4-carbonyl)amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379241
tert-butyl 5-[cyclopropyl-[1-(oxan-4-yl)indole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379233
tert-butyl 5-[cyclopropyl-[4-[2-(hydroxymethyl)phenyl]benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90370102
(1-azido-2-methylpropan-2-yl) 5-[[1-(azidomethyl)indole-4-carbonyl]-cyclopropylamino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 129300731
5-[cyclopropyl-[1-(1-phenylethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylic acid
CID 90370049
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-[4-(trifluoromethoxy)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378302
tert-butyl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379245
N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide
CID 160659542

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
The IUPAC name of tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate (CID 90379282) is tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate.
What is the SMILES notation for tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
The canonical SMILES for tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate is CC(C)(C)OC(=O)n1cc2c(n1)CCC(N(C(=O)c1cccc3c1cnn3CCO)C1CC1)C2.
What is the InChIKey of tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
The InChIKey is NXMUTTKABKPYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-25(2,3)34-24(33)29-15-16-13-18(9-10-21(16)27-29)30(17-7-8-17)23(32)19-5-4-6-22-20(19)14-26-28(22)11-12-31/h4-6,14-15,17-18,31H,7-13H2,1-3H3.
What are the key properties of tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate?
tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate is sourced from PubChem (CID 90379282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).