N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide

C17H22N8O2 — CID 70771379

IUPACN-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)Nc1nn(C)c2cccc(N3CCOCC3)c12
InChIInChI=1S/C17H22N8O2/c1-12-19-21-22-25(12)7-6-15(26)18-17-16-13(23(2)20-17)4-3-5-14(16)24-8-10-27-11-9-24/h3-5H,6-11H2,1-2H3,(H,18,20,26)
InChIKeyXNAOCFFUVHVGML-UHFFFAOYSA-N
MW370.42 g/mol
LogP0.73
Rot. Bonds5

About N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide

N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 70771379) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID70771379
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC NameN-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)Nc1nn(C)c2cccc(N3CCOCC3)c12
InChIInChI=1S/C17H22N8O2/c1-12-19-21-22-25(12)7-6-15(26)18-17-16-13(23(2)20-17)4-3-5-14(16)24-8-10-27-11-9-24/h3-5H,6-11H2,1-2H3,(H,18,20,26)
InChIKeyXNAOCFFUVHVGML-UHFFFAOYSA-N
XLogP0.73
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide (CID 70771379) is N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1CCC(=O)Nc1nn(C)c2cccc(N3CCOCC3)c12.
What is the InChIKey of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is XNAOCFFUVHVGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-12-19-21-22-25(12)7-6-15(26)18-17-16-13(23(2)20-17)4-3-5-14(16)24-8-10-27-11-9-24/h3-5H,6-11H2,1-2H3,(H,18,20,26).
What are the key properties of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide?
N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 370.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 70771379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).