1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone

C17H18N6O2 — CID 125012972

IUPAC1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
SMILESCNc1nccnc1[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1
InChIInChI=1S/C17H18N6O2/c1-18-16-15(19-6-7-20-16)13-10-23(8-9-25-13)17(24)14-11-4-2-3-5-12(11)21-22-14/h2-7,13H,8-10H2,1H3,(H,18,20)(H,21,22)/t13-/m0/s1
InChIKeyWBWJQHKYBCVVMX-ZDUSSCGKSA-N
MW338.37 g/mol
LogP1.61
Rot. Bonds3

About 1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone

1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone (PubChem CID 125012972) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
PubChem CID125012972
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
SMILESCNc1nccnc1[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1
InChIInChI=1S/C17H18N6O2/c1-18-16-15(19-6-7-20-16)13-10-23(8-9-25-13)17(24)14-11-4-2-3-5-12(11)21-22-14/h2-7,13H,8-10H2,1H3,(H,18,20)(H,21,22)/t13-/m0/s1
InChIKeyWBWJQHKYBCVVMX-ZDUSSCGKSA-N
XLogP1.61
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124950048
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
4-[(2S)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137106030
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124983966
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124948136
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone
CID 125018611
[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110112895
1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124947338
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 125008845
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124983075

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone (CID 125012972) is 1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone is CNc1nccnc1[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1.
What is the InChIKey of 1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The InChIKey is WBWJQHKYBCVVMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-18-16-15(19-6-7-20-16)13-10-23(8-9-25-13)17(24)14-11-4-2-3-5-12(11)21-22-14/h2-7,13H,8-10H2,1H3,(H,18,20)(H,21,22)/t13-/m0/s1.
What are the key properties of 1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone has a molecular weight of 338.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 125012972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).