(2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide

C24H41N5O5 — CID 90065198

IUPAC(2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide
SMILESCOC[C@@H]1CNC[C@H](C(=O)N(C2CC2)C(C)c2cc(CCCNOC)n(C3CCOCC3)n2)O1
InChIInChI=1S/C24H41N5O5/c1-17(28(18-6-7-18)24(30)23-15-25-14-21(34-23)16-31-2)22-13-20(5-4-10-26-32-3)29(27-22)19-8-11-33-12-9-19/h13,17-19,21,23,25-26H,4-12,14-16H2,1-3H3/t17?,21-,23+/m0/s1
InChIKeyYMBBAMSVNWKRJR-GCXSUNMLSA-N
MW479.62 g/mol
LogP1.37
Rot. Bonds12

About (2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide

(2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide (PubChem CID 90065198) has the molecular formula C24H41N5O5 and a molecular weight of 479.62 g/mol. Its IUPAC name is (2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide
PubChem CID90065198
Molecular FormulaC24H41N5O5
Molecular Weight479.62 g/mol
Exact Mass479.31
IUPAC Name(2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide
SMILESCOC[C@@H]1CNC[C@H](C(=O)N(C2CC2)C(C)c2cc(CCCNOC)n(C3CCOCC3)n2)O1
InChIInChI=1S/C24H41N5O5/c1-17(28(18-6-7-18)24(30)23-15-25-14-21(34-23)16-31-2)22-13-20(5-4-10-26-32-3)29(27-22)19-8-11-33-12-9-19/h13,17-19,21,23,25-26H,4-12,14-16H2,1-3H3/t17?,21-,23+/m0/s1
InChIKeyYMBBAMSVNWKRJR-GCXSUNMLSA-N
XLogP1.37
TPSA99.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide?
The IUPAC name of (2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide (CID 90065198) is (2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide is COC[C@@H]1CNC[C@H](C(=O)N(C2CC2)C(C)c2cc(CCCNOC)n(C3CCOCC3)n2)O1.
What is the InChIKey of (2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide?
The InChIKey is YMBBAMSVNWKRJR-GCXSUNMLSA-N. The full InChI is InChI=1S/C24H41N5O5/c1-17(28(18-6-7-18)24(30)23-15-25-14-21(34-23)16-31-2)22-13-20(5-4-10-26-32-3)29(27-22)19-8-11-33-12-9-19/h13,17-19,21,23,25-26H,4-12,14-16H2,1-3H3/t17?,21-,23+/m0/s1.
What are the key properties of (2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide?
(2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 1.37, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-cyclopropyl-N-[1-[5-[3-(methoxyamino)propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide is sourced from PubChem (CID 90065198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).