(2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide

C28H35N5O6 — CID 178043782

About (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide

(2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 178043782) has the molecular formula C28H35N5O6 and a molecular weight of 537.62 g/mol. Its IUPAC name is (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
• PubChem CID: 178043782
• Molecular Formula: C28H35N5O6
• Molecular Weight: 537.62 g/mol
• Exact Mass: 537.26
• IUPAC Name: (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
• SMILES: COc1cc(O[C@@H]2CO[C@@H](C(=O)Nc3cnn(CC(=O)N(CCOc4ccc(C)cc4)C(C)C)c3)C2)ccn1
• InChI: InChI=1S/C28H35N5O6/c1-19(2)33(11-12-37-22-7-5-20(3)6-8-22)27(34)17-32-16-21(15-30-32)31-28(35)25-13-24(18-38-25)39-23-9-10-29-26(14-23)36-4/h5-10,14-16,19,24-25H,11-13,17-18H2,1-4H3,(H,31,35)/t24-,25+/m0/s1
• InChIKey: JYYLILCWCDIWLS-LOSJGSFVSA-N
• XLogP: 3.09
• TPSA: 117.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.62
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?

The IUPAC name of (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide (CID 178043782) is (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide.

What is the SMILES notation for (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?

The canonical SMILES for (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide is COc1cc(O[C@@H]2CO[C@@H](C(=O)Nc3cnn(CC(=O)N(CCOc4ccc(C)cc4)C(C)C)c3)C2)ccn1.

What is the InChIKey of (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?

The InChIKey is JYYLILCWCDIWLS-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H35N5O6/c1-19(2)33(11-12-37-22-7-5-20(3)6-8-22)27(34)17-32-16-21(15-30-32)31-28(35)25-13-24(18-38-25)39-23-9-10-29-26(14-23)36-4/h5-10,14-16,19,24-25H,11-13,17-18H2,1-4H3,(H,31,35)/t24-,25+/m0/s1.

What are the key properties of (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?

(2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide has a molecular weight of 537.62 g/mol, XLogP of 3.09, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-4-[(2-methoxy-4-pyridinyl)oxy]-N-[1-[2-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 178043782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).