[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C18H23N5O2 — CID 110119292

IUPAC[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESNc1cc(CCC2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ccn1
InChIInChI=1S/C18H23N5O2/c19-16-10-12(6-7-20-16)4-5-13-11-23(8-9-25-13)18(24)17-14-2-1-3-15(14)21-22-17/h6-7,10,13H,1-5,8-9,11H2,(H2,19,20)(H,21,22)
InChIKeyPGBRSUQJHNWNPQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.35
Rot. Bonds4

About [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 110119292) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID110119292
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESNc1cc(CCC2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ccn1
InChIInChI=1S/C18H23N5O2/c19-16-10-12(6-7-20-16)4-5-13-11-23(8-9-25-13)18(24)17-14-2-1-3-15(14)21-22-17/h6-7,10,13H,1-5,8-9,11H2,(H2,19,20)(H,21,22)
InChIKeyPGBRSUQJHNWNPQ-UHFFFAOYSA-N
XLogP1.35
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 125000995
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 110113908
[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124965509
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110113951
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 110113969
[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124969041
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125021853
(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 110113905
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 124971507
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128964973
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 110113973
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 110113956

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 110119292) is [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is Nc1cc(CCC2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)ccn1.
What is the InChIKey of [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is PGBRSUQJHNWNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-16-10-12(6-7-20-16)4-5-13-11-23(8-9-25-13)18(24)17-14-2-1-3-15(14)21-22-17/h6-7,10,13H,1-5,8-9,11H2,(H2,19,20)(H,21,22).
What are the key properties of [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 110119292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).