morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone

C21H23N5O2 — CID 134698833

IUPACmorpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(NCCc2cnn(-c3ccccc3)c2)c1)N1CCOCC1
InChIInChI=1S/C21H23N5O2/c27-21(25-10-12-28-13-11-25)18-7-9-23-20(14-18)22-8-6-17-15-24-26(16-17)19-4-2-1-3-5-19/h1-5,7,9,14-16H,6,8,10-13H2,(H,22,23)
InChIKeyORBAGWHUEXIEBO-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.39
Rot. Bonds6

About morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone

morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone (PubChem CID 134698833) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone
PubChem CID134698833
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Namemorpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(NCCc2cnn(-c3ccccc3)c2)c1)N1CCOCC1
InChIInChI=1S/C21H23N5O2/c27-21(25-10-12-28-13-11-25)18-7-9-23-20(14-18)22-8-6-17-15-24-26(16-17)19-4-2-1-3-5-19/h1-5,7,9,14-16H,6,8,10-13H2,(H,22,23)
InChIKeyORBAGWHUEXIEBO-UHFFFAOYSA-N
XLogP2.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109168056
[1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone
CID 171356284
1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169044
[2-[2-(furan-2-yl)ethylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134709793
4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168852
[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109169331
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168856
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585
[4-[2-(1-methylpyrazol-4-yl)ethylamino]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133271042
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 39570966

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone (CID 134698833) is morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone is O=C(c1ccnc(NCCc2cnn(-c3ccccc3)c2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone?
The InChIKey is ORBAGWHUEXIEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-21(25-10-12-28-13-11-25)18-7-9-23-20(14-18)22-8-6-17-15-24-26(16-17)19-4-2-1-3-5-19/h1-5,7,9,14-16H,6,8,10-13H2,(H,22,23).
What are the key properties of morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone?
morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone has a molecular weight of 377.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone is sourced from PubChem (CID 134698833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).