(2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide

C26H38N6O5 — CID 118313270

IUPAC(2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide
SMILESCOC[C@H]1CO[C@@H](C(=O)N(C2CC2)[C@@H](C)c2nn(CCCNC(=O)CO)c(-c3ccccn3)c2C)CN1
InChIInChI=1S/C26H38N6O5/c1-17-24(18(2)32(20-8-9-20)26(35)22-13-29-19(15-36-3)16-37-22)30-31(12-6-11-28-23(34)14-33)25(17)21-7-4-5-10-27-21/h4-5,7,10,18-20,22,29,33H,6,8-9,11-16H2,1-3H3,(H,28,34)/t18-,19-,22+/m0/s1
InChIKeyLMLHLYOGVCUJPJ-CNNODRBYSA-N
MW514.63 g/mol
LogP0.81
Rot. Bonds12

About (2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide

(2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide (PubChem CID 118313270) has the molecular formula C26H38N6O5 and a molecular weight of 514.63 g/mol. Its IUPAC name is (2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide
PubChem CID118313270
Molecular FormulaC26H38N6O5
Molecular Weight514.63 g/mol
Exact Mass514.29
IUPAC Name(2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide
SMILESCOC[C@H]1CO[C@@H](C(=O)N(C2CC2)[C@@H](C)c2nn(CCCNC(=O)CO)c(-c3ccccn3)c2C)CN1
InChIInChI=1S/C26H38N6O5/c1-17-24(18(2)32(20-8-9-20)26(35)22-13-29-19(15-36-3)16-37-22)30-31(12-6-11-28-23(34)14-33)25(17)21-7-4-5-10-27-21/h4-5,7,10,18-20,22,29,33H,6,8-9,11-16H2,1-3H3,(H,28,34)/t18-,19-,22+/m0/s1
InChIKeyLMLHLYOGVCUJPJ-CNNODRBYSA-N
XLogP0.81
TPSA130.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methyl]morpholine-2-carboxamide
CID 59494444
(E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide;hydrochloride
CID 16196231
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 68310609
(2R)-N-cyclopropyl-N-[1-[1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 89939561
(2R)-N-cyclopropyl-N-[1-[1-(4-methoxybutyl)pyrrolo[3,2-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide
CID 89939637
(2R)-N-cyclopropyl-N-[1-[1-(3-methoxypropyl)-3-methylpyrrolo[3,2-c]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 117877397
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)-7-methylpyrrolo[3,2-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide
CID 117883208
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(4-methoxybutyl)-7-methylpyrrolo[3,2-b]pyridin-3-yl]ethyl]morpholine-2-carboxamide
CID 117883209
US10071974, Example 32
CID 121346633
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53555369
2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53559118
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53562907

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide?
The IUPAC name of (2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide (CID 118313270) is (2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide is COC[C@H]1CO[C@@H](C(=O)N(C2CC2)[C@@H](C)c2nn(CCCNC(=O)CO)c(-c3ccccn3)c2C)CN1.
What is the InChIKey of (2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide?
The InChIKey is LMLHLYOGVCUJPJ-CNNODRBYSA-N. The full InChI is InChI=1S/C26H38N6O5/c1-17-24(18(2)32(20-8-9-20)26(35)22-13-29-19(15-36-3)16-37-22)30-31(12-6-11-28-23(34)14-33)25(17)21-7-4-5-10-27-21/h4-5,7,10,18-20,22,29,33H,6,8-9,11-16H2,1-3H3,(H,28,34)/t18-,19-,22+/m0/s1.
What are the key properties of (2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide?
(2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide has a molecular weight of 514.63 g/mol, XLogP of 0.81, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N-cyclopropyl-N-[(1S)-1-[1-[3-[(2-hydroxyacetyl)amino]propyl]-4-methyl-5-pyridin-2-ylpyrazol-3-yl]ethyl]-5-(methoxymethyl)morpholine-2-carboxamide is sourced from PubChem (CID 118313270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).