[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone

C20H23N7O3 — CID 155501269

IUPAC[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
SMILESO=C(c1cccc2nnnn12)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C20H23N7O3/c28-20(16-4-1-5-18-22-23-24-27(16)18)26-9-12-30-17(14-25-7-10-29-11-8-25)19(26)15-3-2-6-21-13-15/h1-6,13,17,19H,7-12,14H2/t17-,19-/m0/s1
InChIKeyNJCHVHLJYNJURC-HKUYNNGSSA-N
MW409.45 g/mol
LogP0.43
Rot. Bonds4

About [(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone

[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone (PubChem CID 155501269) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is [(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
PubChem CID155501269
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
SMILESO=C(c1cccc2nnnn12)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C20H23N7O3/c28-20(16-4-1-5-18-22-23-24-27(16)18)26-9-12-30-17(14-25-7-10-29-11-8-25)19(26)15-3-2-6-21-13-15/h1-6,13,17,19H,7-12,14H2/t17-,19-/m0/s1
InChIKeyNJCHVHLJYNJURC-HKUYNNGSSA-N
XLogP0.43
TPSA97.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155504237
(4-hydroxy-2-methylphenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155491360
1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155504219
6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 155510191
(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one
CID 155503656
2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155503401
2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155505758
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155497123
N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 155492711
(2S,3S)-N-methyl-2-(morpholin-4-ylmethyl)-N-propan-2-yl-3-pyridin-3-ylmorpholine-4-sulfonamide
CID 155494427
(3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone
CID 155509773
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 97012499

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone?
The IUPAC name of [(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone (CID 155501269) is [(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone.
What is the SMILES notation for [(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone?
The canonical SMILES for [(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone is O=C(c1cccc2nnnn12)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1.
What is the InChIKey of [(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone?
The InChIKey is NJCHVHLJYNJURC-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H23N7O3/c28-20(16-4-1-5-18-22-23-24-27(16)18)26-9-12-30-17(14-25-7-10-29-11-8-25)19(26)15-3-2-6-21-13-15/h1-6,13,17,19H,7-12,14H2/t17-,19-/m0/s1.
What are the key properties of [(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone?
[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone has a molecular weight of 409.45 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone is sourced from PubChem (CID 155501269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).