N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide

C38H53N7O7 — CID 70057776

About N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 70057776) has the molecular formula C38H53N7O7 and a molecular weight of 719.88 g/mol. Its IUPAC name is N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide
• PubChem CID: 70057776
• Molecular Formula: C38H53N7O7
• Molecular Weight: 719.88 g/mol
• Exact Mass: 719.40
• IUPAC Name: N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide
• SMILES: COc1ccc(CC(NC(=O)N2CCOCC2)C(=O)NC(Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)cc1
• InChI: InChI=1S/C38H53N7O7/c1-51-30-13-10-27(11-14-30)22-32(44-38(50)45-17-19-52-20-18-45)36(48)43-33(23-29-24-39-25-41-29)37(49)42-31(21-26-7-3-2-4-8-26)35(47)34(46)15-12-28-9-5-6-16-40-28/h5-6,9-11,13-14,16,24-26,31-35,46-47H,2-4,7-8,12,15,17-23H2,1H3,(H,39,41)(H,42,49)(H,43,48)(H,44,50)/t31-,32?,33?,34-,35+/m0/s1
• InChIKey: WNOSOZRPZFBFHC-GIFNHEKISA-N
• XLogP: 2.30
• TPSA: 191.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.88
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide?

The IUPAC name of N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 70057776) is N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide.

What is the SMILES notation for N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide?

The canonical SMILES for N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide is COc1ccc(CC(NC(=O)N2CCOCC2)C(=O)NC(Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)cc1.

What is the InChIKey of N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide?

The InChIKey is WNOSOZRPZFBFHC-GIFNHEKISA-N. The full InChI is InChI=1S/C38H53N7O7/c1-51-30-13-10-27(11-14-30)22-32(44-38(50)45-17-19-52-20-18-45)36(48)43-33(23-29-24-39-25-41-29)37(49)42-31(21-26-7-3-2-4-8-26)35(47)34(46)15-12-28-9-5-6-16-40-28/h5-6,9-11,13-14,16,24-26,31-35,46-47H,2-4,7-8,12,15,17-23H2,1H3,(H,39,41)(H,42,49)(H,43,48)(H,44,50)/t31-,32?,33?,34-,35+/m0/s1.

What are the key properties of N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide?

N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 719.88 g/mol, XLogP of 2.30, 17 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 70057776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).