tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate

C18H25N3O4 — CID 171597592

IUPACtert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate
SMILESCOc1c(NC(=O)OC(C)(C)C)ccc2cnn(C3CCCCO3)c12
InChIInChI=1S/C18H25N3O4/c1-18(2,3)25-17(22)20-13-9-8-12-11-19-21(15(12)16(13)23-4)14-7-5-6-10-24-14/h8-9,11,14H,5-7,10H2,1-4H3,(H,20,22)
InChIKeyNVMMVEWEPVOHDZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.09
Rot. Bonds3

About tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate

tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate (PubChem CID 171597592) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate
PubChem CID171597592
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nametert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate
SMILESCOc1c(NC(=O)OC(C)(C)C)ccc2cnn(C3CCCCO3)c12
InChIInChI=1S/C18H25N3O4/c1-18(2,3)25-17(22)20-13-9-8-12-11-19-21(15(12)16(13)23-4)14-7-5-6-10-24-14/h8-9,11,14H,5-7,10H2,1-4H3,(H,20,22)
InChIKeyNVMMVEWEPVOHDZ-UHFFFAOYSA-N
XLogP4.09
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate
CID 171437031
tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate
CID 171437057
[7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid
CID 174225986
tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
CID 117274565
CID 162044579
CID 162044579
2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168608920
(7-methoxy-1-methylindazol-6-yl)carbamic acid
CID 174225914
tert-butyl N-[3-cyano-1-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl]carbamate
CID 172557929
tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate
CID 135992185
tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate
CID 122134015
tert-butyl (2S,5S)-4-[6-chloro-8-fluoro-7-[6-methyl-1-[(2S)-oxan-2-yl]indazol-7-yl]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate
CID 135387882
tert-butyl 4-[5-amino-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate
CID 126486097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate?
The IUPAC name of tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate (CID 171597592) is tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate is COc1c(NC(=O)OC(C)(C)C)ccc2cnn(C3CCCCO3)c12.
What is the InChIKey of tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate?
The InChIKey is NVMMVEWEPVOHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-18(2,3)25-17(22)20-13-9-8-12-11-19-21(15(12)16(13)23-4)14-7-5-6-10-24-14/h8-9,11,14H,5-7,10H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate?
tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate has a molecular weight of 347.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate is sourced from PubChem (CID 171597592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).