(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone

C13H15N3O2 — CID 78869833

IUPAC(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C13H15N3O2/c1-9-2-3-11-10(8-9)12(15-14-11)13(17)16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyVMNVLPSWCHSJLH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.34
Rot. Bonds1

About (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone

(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 78869833) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
PubChem CID78869833
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C13H15N3O2/c1-9-2-3-11-10(8-9)12(15-14-11)13(17)16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyVMNVLPSWCHSJLH-UHFFFAOYSA-N
XLogP1.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78858969
2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 78868399
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78858955
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
3-(5-methyl-1H-indazole-3-carbonyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-6-one
CID 169170579
5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 78866464
(5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone
CID 127251575
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone (CID 78869833) is (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone is Cc1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1.
What is the InChIKey of (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is VMNVLPSWCHSJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-2-3-11-10(8-9)12(15-14-11)13(17)16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3,(H,14,15).
What are the key properties of (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone?
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 245.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 78869833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).