tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate

C25H29F2N5O4 — CID 170357760

IUPACtert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCn1nc2ccc(OCc3ccccn3)cc2c1C(=O)NC1CN(C(=O)OC(C)(C)C)CCC1(F)F
InChIInChI=1S/C25H29F2N5O4/c1-24(2,3)36-23(34)32-12-10-25(26,27)20(14-32)29-22(33)21-18-13-17(8-9-19(18)30-31(21)4)35-15-16-7-5-6-11-28-16/h5-9,11,13,20H,10,12,14-15H2,1-4H3,(H,29,33)
InChIKeyXSQUSLYZZFGZEV-UHFFFAOYSA-N
MW501.53 g/mol
LogP3.92
Rot. Bonds5

About tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate

tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 170357760) has the molecular formula C25H29F2N5O4 and a molecular weight of 501.53 g/mol. Its IUPAC name is tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID170357760
Molecular FormulaC25H29F2N5O4
Molecular Weight501.53 g/mol
Exact Mass501.22
IUPAC Nametert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCn1nc2ccc(OCc3ccccn3)cc2c1C(=O)NC1CN(C(=O)OC(C)(C)C)CCC1(F)F
InChIInChI=1S/C25H29F2N5O4/c1-24(2,3)36-23(34)32-12-10-25(26,27)20(14-32)29-22(33)21-18-13-17(8-9-19(18)30-31(21)4)35-15-16-7-5-6-11-28-16/h5-9,11,13,20H,10,12,14-15H2,1-4H3,(H,29,33)
InChIKeyXSQUSLYZZFGZEV-UHFFFAOYSA-N
XLogP3.92
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide
CID 170417303
2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide
CID 170419321
2-ethyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxylic acid
CID 170357752
tert-butyl 3-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]oxyazetidine-1-carboxylate
CID 69491695
N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide
CID 170602684
N-[1-(2-hydroxyethyl)cyclobutyl]-2-methyl-5-phenylmethoxyindazole-3-carboxamide
CID 170602534
tert-butyl 4,4-difluoro-3-[2-(phenylmethoxycarbonylaminomethyl)-4-pyridinyl]piperidine-1-carboxylate
CID 164734647
tert-butyl (3R,4R)-3-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-7-phenylmethoxynaphthalene-2-carbonyl)oxyazepane-1-carboxylate
CID 67604072
tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate
CID 83694152
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647426
tert-butyl 4-[[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoyl]amino]piperidine-1-carboxylate;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]benzoic acid;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]benzamide;4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-piperidin-4-ylbenzamide
CID 160763331
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate (CID 170357760) is tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate is Cn1nc2ccc(OCc3ccccn3)cc2c1C(=O)NC1CN(C(=O)OC(C)(C)C)CCC1(F)F.
What is the InChIKey of tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is XSQUSLYZZFGZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O4/c1-24(2,3)36-23(34)32-12-10-25(26,27)20(14-32)29-22(33)21-18-13-17(8-9-19(18)30-31(21)4)35-15-16-7-5-6-11-28-16/h5-9,11,13,20H,10,12,14-15H2,1-4H3,(H,29,33).
What are the key properties of tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 501.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,4-difluoro-3-[[2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 170357760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).