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

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

(2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide (PubChem CID 118313272) has the molecular formula C24H38FN5O5 and a molecular weight of 495.60 g/mol. Its IUPAC name is (2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name	(2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide
PubChem CID	118313272
Molecular Formula	C24H38FN5O5
Molecular Weight	495.60 g/mol
Exact Mass	495.29
IUPAC Name	(2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide
SMILES	C[C@@H](c1cc(CCCNC(=O)CO)n(C2CCOCC2)n1)N(C(=O)[C@H]1CNC[C@@H](CF)O1)C1CC1
InChI	InChI=1S/C24H38FN5O5/c1-16(29(17-4-5-17)24(33)22-14-26-13-20(12-25)35-22)21-11-19(3-2-8-27-23(32)15-31)30(28-21)18-6-9-34-10-7-18/h11,16-18,20,22,26,31H,2-10,12-15H2,1H3,(H,27,32)/t16-,20+,22+/m0/s1
InChIKey	IVBAAMUUQZZZAV-SAWYMBPVSA-N
XLogP	0.65
TPSA	117.95 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.60
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide?

The IUPAC name of (2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide (CID 118313272) is (2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide.

What is the SMILES notation for (2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide?

The canonical SMILES for (2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide is C[C@@H](c1cc(CCCNC(=O)CO)n(C2CCOCC2)n1)N(C(=O)[C@H]1CNC[C@@H](CF)O1)C1CC1.

What is the InChIKey of (2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide?

The InChIKey is IVBAAMUUQZZZAV-SAWYMBPVSA-N. The full InChI is InChI=1S/C24H38FN5O5/c1-16(29(17-4-5-17)24(33)22-14-26-13-20(12-25)35-22)21-11-19(3-2-8-27-23(32)15-31)30(28-21)18-6-9-34-10-7-18/h11,16-18,20,22,26,31H,2-10,12-15H2,1H3,(H,27,32)/t16-,20+,22+/m0/s1.

What are the key properties of (2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide?

(2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 495.60 g/mol, XLogP of 0.65, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6S)-N-cyclopropyl-6-(fluoromethyl)-N-[(1S)-1-[5-[3-[(2-hydroxyacetyl)amino]propyl]-1-(oxan-4-yl)pyrazol-3-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 118313272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).