N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine

C16H16N4O2 — CID 167835504

IUPACN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine
SMILESCc1cc2[nH]ncc2cc1NCc1cc2c(cn1)OCCO2
InChIInChI=1S/C16H16N4O2/c1-10-4-14-11(7-19-20-14)5-13(10)18-8-12-6-15-16(9-17-12)22-3-2-21-15/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)
InChIKeyUEQMEEAITQFHOJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.65
Rot. Bonds3

About N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine

N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine (PubChem CID 167835504) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine
PubChem CID167835504
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine
SMILESCc1cc2[nH]ncc2cc1NCc1cc2c(cn1)OCCO2
InChIInChI=1S/C16H16N4O2/c1-10-4-14-11(7-19-20-14)5-13(10)18-8-12-6-15-16(9-17-12)22-3-2-21-15/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)
InChIKeyUEQMEEAITQFHOJ-UHFFFAOYSA-N
XLogP2.65
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine with MolForge

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 168583886
N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770216
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-morpholin-2-ylmethanamine
CID 141190543
6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 54982377
8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine
CID 89207197
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 74231193
7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
CID 154556737
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride
CID 86346260
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol
CID 82492557
6-bromo-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62749058
N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763744
2-methyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propan-2-ol
CID 115136774

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine?
The IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine (CID 167835504) is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine.
What is the SMILES notation for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine?
The canonical SMILES for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine is Cc1cc2[nH]ncc2cc1NCc1cc2c(cn1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine?
The InChIKey is UEQMEEAITQFHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-4-14-11(7-19-20-14)5-13(10)18-8-12-6-15-16(9-17-12)22-3-2-21-15/h4-7,9,18H,2-3,8H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine?
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine has a molecular weight of 296.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine is sourced from PubChem (CID 167835504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).