methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate

About methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate

methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate (PubChem CID 118313259) has the molecular formula C26H43N5O6 and a molecular weight of 521.66 g/mol. Its IUPAC name is methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Name	methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
PubChem CID	118313259
Molecular Formula	C26H43N5O6
Molecular Weight	521.66 g/mol
Exact Mass	521.32
IUPAC Name	methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
SMILES	COC[C@H]1CO[C@@H](C(=O)N(C2CC2)[C@@H](C)c2nn(CCCNC(=O)OC)c(C3CCOCC3)c2C)CN1
InChI	InChI=1S/C26H43N5O6/c1-17-23(18(2)31(21-6-7-21)25(32)22-14-28-20(15-34-3)16-37-22)29-30(11-5-10-27-26(33)35-4)24(17)19-8-12-36-13-9-19/h18-22,28H,5-16H2,1-4H3,(H,27,33)/t18-,20-,22+/m0/s1
InChIKey	WOWJJTVMMBAYPY-RCZSKKKRSA-N
XLogP	1.89
TPSA	116.18 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	11
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.66
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?

The IUPAC name of methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate (CID 118313259) is methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate.

What is the SMILES notation for methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?

The canonical SMILES for methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate is COC[C@H]1CO[C@@H](C(=O)N(C2CC2)[C@@H](C)c2nn(CCCNC(=O)OC)c(C3CCOCC3)c2C)CN1.

What is the InChIKey of methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?

The InChIKey is WOWJJTVMMBAYPY-RCZSKKKRSA-N. The full InChI is InChI=1S/C26H43N5O6/c1-17-23(18(2)31(21-6-7-21)25(32)22-14-28-20(15-34-3)16-37-22)29-30(11-5-10-27-26(33)35-4)24(17)19-8-12-36-13-9-19/h18-22,28H,5-16H2,1-4H3,(H,27,33)/t18-,20-,22+/m0/s1.

What are the key properties of methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?

methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate has a molecular weight of 521.66 g/mol, XLogP of 1.89, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).