(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone

C21H22ClN5O3 — CID 125004502

IUPAC(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone
SMILESNc1ccc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1
InChIInChI=1S/C21H22ClN5O3/c22-15-2-4-17(5-3-15)29-9-7-16-11-18(26-25-16)19-13-27(8-10-30-19)21(28)14-1-6-20(23)24-12-14/h1-6,11-12,19H,7-10,13H2,(H2,23,24)(H,25,26)/t19-/m1/s1
InChIKeySYWSDIPQBZNHEI-LJQANCHMSA-N
MW427.89 g/mol
LogP2.88
Rot. Bonds6

About (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone

(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone (PubChem CID 125004502) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone
PubChem CID125004502
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC Name(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone
SMILESNc1ccc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1
InChIInChI=1S/C21H22ClN5O3/c22-15-2-4-17(5-3-15)29-9-7-16-11-18(26-25-16)19-13-27(8-10-30-19)21(28)14-1-6-20(23)24-12-14/h1-6,11-12,19H,7-10,13H2,(H2,23,24)(H,25,26)/t19-/m1/s1
InChIKeySYWSDIPQBZNHEI-LJQANCHMSA-N
XLogP2.88
TPSA106.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone (CID 125004502) is (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone is Nc1ccc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone?
The InChIKey is SYWSDIPQBZNHEI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c22-15-2-4-17(5-3-15)29-9-7-16-11-18(26-25-16)19-13-27(8-10-30-19)21(28)14-1-6-20(23)24-12-14/h1-6,11-12,19H,7-10,13H2,(H2,23,24)(H,25,26)/t19-/m1/s1.
What are the key properties of (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone?
(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone has a molecular weight of 427.89 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 125004502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).