[7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid

C14H17N3O4 — CID 174225986

IUPAC[7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid
SMILESCOc1c(NC(=O)O)ccc2cnn(C3CCOCC3)c12
InChIInChI=1S/C14H17N3O4/c1-20-13-11(16-14(18)19)3-2-9-8-15-17(12(9)13)10-4-6-21-7-5-10/h2-3,8,10,16H,4-7H2,1H3,(H,18,19)
InChIKeyLLOYGCYYZBLBSI-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.49
Rot. Bonds3

About [7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid

[7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid (PubChem CID 174225986) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is [7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid.

Molecular Properties

Compound Name[7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid
PubChem CID174225986
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name[7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid
SMILESCOc1c(NC(=O)O)ccc2cnn(C3CCOCC3)c12
InChIInChI=1S/C14H17N3O4/c1-20-13-11(16-14(18)19)3-2-9-8-15-17(12(9)13)10-4-6-21-7-5-10/h2-3,8,10,16H,4-7H2,1H3,(H,18,19)
InChIKeyLLOYGCYYZBLBSI-UHFFFAOYSA-N
XLogP2.49
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7-methoxy-1-methylindazol-6-yl)carbamic acid
CID 174225914
tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate
CID 171597592
N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
CID 167933715
1-cyclopropyl-6-methyl-7-propan-2-ylindazole
CID 164840126
tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate
CID 171437031
5-methyl-1-(oxan-4-yl)pyrazol-4-amine
CID 69281503
5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
CID 172907955
tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate
CID 171437057
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 69281706
1-naphthalen-1-yl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597839
8-[4-(2-ethoxyethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136618931
5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole
CID 170557163

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid?
The IUPAC name of [7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid (CID 174225986) is [7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid.
What is the SMILES notation for [7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid?
The canonical SMILES for [7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid is COc1c(NC(=O)O)ccc2cnn(C3CCOCC3)c12.
What is the InChIKey of [7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid?
The InChIKey is LLOYGCYYZBLBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-20-13-11(16-14(18)19)3-2-9-8-15-17(12(9)13)10-4-6-21-7-5-10/h2-3,8,10,16H,4-7H2,1H3,(H,18,19).
What are the key properties of [7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid?
[7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid has a molecular weight of 291.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid is sourced from PubChem (CID 174225986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).