1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid

C17H26N4O3 — CID 155102985

IUPAC1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid
SMILESCC(COCc1cc(N)c2cn(C)nc2c1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C17H26N4O3/c1-11(21(16(22)23)17(2,3)4)9-24-10-12-6-14(18)13-8-20(5)19-15(13)7-12/h6-8,11H,9-10,18H2,1-5H3,(H,22,23)
InChIKeyNJTGHENSZMVPJQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.84
Rot. Bonds5

About 1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid

1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid (PubChem CID 155102985) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid.

Molecular Properties

Compound Name1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid
PubChem CID155102985
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid
SMILESCC(COCc1cc(N)c2cn(C)nc2c1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C17H26N4O3/c1-11(21(16(22)23)17(2,3)4)9-24-10-12-6-14(18)13-8-20(5)19-15(13)7-12/h6-8,11H,9-10,18H2,1-5H3,(H,22,23)
InChIKeyNJTGHENSZMVPJQ-UHFFFAOYSA-N
XLogP2.84
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[(2-methyl-4-nitroindazol-6-yl)methoxy]propan-2-yl]carbamate
CID 175199905
[(2S)-1-[4-amino-2-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]-tert-butylcarbamic acid
CID 67265268
tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
CID 66990689
[(2R)-1-[(3-bromo-2-pyridinyl)oxy]propan-2-yl]-tert-butylcarbamic acid
CID 134249329
3-(2,2-difluoroethoxymethyl)-1-methylpyrazole-4-carboxylic acid
CID 131537478
5-ethyl-2-methylindazol-4-ol
CID 177040057
tert-butyl-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 67404412
tert-butyl N-[3-[[(2R)-1-[(7-amino-1-methylbenzotriazol-5-yl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 155114821
tert-butyl-[(2S)-1-[1-(6-cyclobutyloxy-1,3-benzoxazol-2-yl)piperidin-4-yl]oxypropan-2-yl]carbamic acid
CID 67448689
tert-butyl-[(2S,3R)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 66716676
4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 65355148
2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]-methoxyamino]propyl acetate
CID 87514130

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid?
The IUPAC name of 1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid (CID 155102985) is 1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid.
What is the SMILES notation for 1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid?
The canonical SMILES for 1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid is CC(COCc1cc(N)c2cn(C)nc2c1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of 1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid?
The InChIKey is NJTGHENSZMVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(21(16(22)23)17(2,3)4)9-24-10-12-6-14(18)13-8-20(5)19-15(13)7-12/h6-8,11H,9-10,18H2,1-5H3,(H,22,23).
What are the key properties of 1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid?
1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid has a molecular weight of 334.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid is sourced from PubChem (CID 155102985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).