3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium

C31H35ClN4O5U — CID 160992648

About 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium

3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium (PubChem CID 160992648) has the molecular formula C31H35ClN4O5U and a molecular weight of 817.13 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium.

Molecular Properties

• Compound Name: 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium
• PubChem CID: 160992648
• Molecular Formula: C31H35ClN4O5U
• Molecular Weight: 817.13 g/mol
• Exact Mass: 816.28
• IUPAC Name: 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium
• SMILES: CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)[C@H](C)O)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl.[U]
• InChI: InChI=1S/C31H35ClN4O5.U/c1-18(2)41-28-12-11-23(15-26(28)32)31(40)34-24(16-33-30(39)20(4)38)14-21-7-9-22(10-8-21)27-17-36-13-5-6-25(19(3)37)29(36)35-27;/h5-13,15,17-20,24,37-38H,14,16H2,1-4H3,(H,33,39)(H,34,40);/t19?,20-,24-;/m0./s1
• InChIKey: TUVNNFFNXJZGPR-UOLKGRBWSA-N
• XLogP: 4.33
• TPSA: 125.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	817.13
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium?

The IUPAC name of 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium (CID 160992648) is 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium.

What is the SMILES notation for 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium?

The canonical SMILES for 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium is CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)[C@H](C)O)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl.[U].

What is the InChIKey of 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium?

The InChIKey is TUVNNFFNXJZGPR-UOLKGRBWSA-N. The full InChI is InChI=1S/C31H35ClN4O5.U/c1-18(2)41-28-12-11-23(15-26(28)32)31(40)34-24(16-33-30(39)20(4)38)14-21-7-9-22(10-8-21)27-17-36-13-5-6-25(19(3)37)29(36)35-27;/h5-13,15,17-20,24,37-38H,14,16H2,1-4H3,(H,33,39)(H,34,40);/t19?,20-,24-;/m0./s1.

What are the key properties of 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium?

3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium has a molecular weight of 817.13 g/mol, XLogP of 4.33, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium is sourced from PubChem (CID 160992648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).