tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate

C24H34F2N6O3 — CID 166113689

IUPACtert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cn2cc(NC(=O)c3n[nH]c4c3CC(F)(F)C(C)(C)C4)cn2)CC1
InChIInChI=1S/C24H34F2N6O3/c1-22(2,3)35-21(34)31-8-6-15(7-9-31)13-32-14-16(12-27-32)28-20(33)19-17-10-24(25,26)23(4,5)11-18(17)29-30-19/h12,14-15H,6-11,13H2,1-5H3,(H,28,33)(H,29,30)
InChIKeyRPDHTNIBOSXRQD-UHFFFAOYSA-N
MW492.57 g/mol
LogP4.27
Rot. Bonds4

About tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate

tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 166113689) has the molecular formula C24H34F2N6O3 and a molecular weight of 492.57 g/mol. Its IUPAC name is tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate
PubChem CID166113689
Molecular FormulaC24H34F2N6O3
Molecular Weight492.57 g/mol
Exact Mass492.27
IUPAC Nametert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cn2cc(NC(=O)c3n[nH]c4c3CC(F)(F)C(C)(C)C4)cn2)CC1
InChIInChI=1S/C24H34F2N6O3/c1-22(2,3)35-21(34)31-8-6-15(7-9-31)13-32-14-16(12-27-32)28-20(33)19-17-10-24(25,26)23(4,5)11-18(17)29-30-19/h12,14-15H,6-11,13H2,1-5H3,(H,28,33)(H,29,30)
InChIKeyRPDHTNIBOSXRQD-UHFFFAOYSA-N
XLogP4.27
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(4aS,5aR)-N-[1-[[1-[1-[4-(2,4-dioxopyrimidin-1-yl)phenyl]piperidine-4-carbonyl]piperidin-4-yl]methyl]pyrazol-4-yl]-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 171063393
N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide
CID 166112907
N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide;ethane
CID 166112906
tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate
CID 75434801
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
tert-butyl 4-[[4-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 172907087
(4aS,5aR)-N-[1-[[1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]azetidine-3-carbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 166112579
tert-butyl 4-[[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 171921646
tert-butyl 4-[[4-(5-ethenyl-2-fluorophenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 171919908
tert-butyl 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]piperidine-1-carboxylate
CID 126963332
2-methyl-3-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazol-4-yl]benzoic acid
CID 171362114
tert-butyl 4-[[4-[3-cyano-5-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 172990006

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate (CID 166113689) is tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cn2cc(NC(=O)c3n[nH]c4c3CC(F)(F)C(C)(C)C4)cn2)CC1.
What is the InChIKey of tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is RPDHTNIBOSXRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N6O3/c1-22(2,3)35-21(34)31-8-6-15(7-9-31)13-32-14-16(12-27-32)28-20(33)19-17-10-24(25,26)23(4,5)11-18(17)29-30-19/h12,14-15H,6-11,13H2,1-5H3,(H,28,33)(H,29,30).
What are the key properties of tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 492.57 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[(5,5-difluoro-6,6-dimethyl-4,7-dihydro-1H-indazole-3-carbonyl)amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 166113689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).