[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C18H23N5O2 — CID 125018147

IUPAC[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCOC[C@@H]1CCc1cnccn1
InChIInChI=1S/C18H23N5O2/c24-18(17-15-3-1-2-4-16(15)21-22-17)23-9-10-25-12-14(23)6-5-13-11-19-7-8-20-13/h7-8,11,14H,1-6,9-10,12H2,(H,21,22)/t14-/m0/s1
InChIKeyXMNDFVGVPNTVAW-AWEZNQCLSA-N
MW341.42 g/mol
LogP1.55
Rot. Bonds4

About [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 125018147) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID125018147
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCOC[C@@H]1CCc1cnccn1
InChIInChI=1S/C18H23N5O2/c24-18(17-15-3-1-2-4-16(15)21-22-17)23-9-10-25-12-14(23)6-5-13-11-19-7-8-20-13/h7-8,11,14H,1-6,9-10,12H2,(H,21,22)/t14-/m0/s1
InChIKeyXMNDFVGVPNTVAW-AWEZNQCLSA-N
XLogP1.55
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110132170
[3-(cyclopropylmethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 136566370
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124995063
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 110132191
(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125013670
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125010537
3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124944351
2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 110132201
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124977212
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
1-piperidin-1-yl-2-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 124998042
1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124959044

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 125018147) is [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@@H]1CCc1cnccn1.
What is the InChIKey of [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is XMNDFVGVPNTVAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(17-15-3-1-2-4-16(15)21-22-17)23-9-10-25-12-14(23)6-5-13-11-19-7-8-20-13/h7-8,11,14H,1-6,9-10,12H2,(H,21,22)/t14-/m0/s1.
What are the key properties of [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 125018147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).