tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate

C24H30N4O3 — CID 59781293

IUPACtert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate
SMILESCOc1ccc(Cn2ncc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc32)cc1
InChIInChI=1S/C24H30N4O3/c1-24(2,3)31-23(29)27-13-11-26(12-14-27)20-8-7-19-16-25-28(22(19)15-20)17-18-5-9-21(30-4)10-6-18/h5-10,15-16H,11-14,17H2,1-4H3
InChIKeyROHAGHNKORQSQI-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate

tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate (PubChem CID 59781293) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate
PubChem CID59781293
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Nametert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate
SMILESCOc1ccc(Cn2ncc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc32)cc1
InChIInChI=1S/C24H30N4O3/c1-24(2,3)31-23(29)27-13-11-26(12-14-27)20-8-7-19-16-25-28(22(19)15-20)17-18-5-9-21(30-4)10-6-18/h5-10,15-16H,11-14,17H2,1-4H3
InChIKeyROHAGHNKORQSQI-UHFFFAOYSA-N
XLogP4.15
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane
CID 142622902
tert-butyl 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]piperazine-1-carboxylate
CID 118221132
tert-butyl 4-[6-[(4-methoxyphenyl)methylsulfanyl]pyridazin-4-yl]piperazine-1-carboxylate
CID 171811305
[1-[(3-chlorophenyl)methyl]indazol-6-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53012817
tert-butyl 4-[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]piperazine-1-carboxylate
CID 5133072
tert-butyl 4-[3-methoxy-1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]piperazine-1-carboxylate
CID 68759898
[1-[(4-methoxyphenyl)methyl]indazol-6-yl]hydrazine
CID 155304137
tert-butyl (3S)-4-[1-[(4-methoxyphenyl)methyl]-4-nitropyrazol-5-yl]-3-methylpiperazine-1-carboxylate
CID 86679987
tert-butyl 4-[4-[5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate
CID 22122375
tert-butyl 4-[1-(4-chlorophenyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46280465
tert-butyl 4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate
CID 121305369
tert-butyl 4-[5-cyclopropyl-1-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethynyl)pyrazolo[3,4-b]pyridin-4-yl]piperazine-1-carboxylate
CID 68769357

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate (CID 59781293) is tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate is COc1ccc(Cn2ncc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc32)cc1.
What is the InChIKey of tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate?
The InChIKey is ROHAGHNKORQSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-24(2,3)31-23(29)27-13-11-26(12-14-27)20-8-7-19-16-25-28(22(19)15-20)17-18-5-9-21(30-4)10-6-18/h5-10,15-16H,11-14,17H2,1-4H3.
What are the key properties of tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate?
tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate is sourced from PubChem (CID 59781293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).