3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide

C32H38ClN5O4 — CID 66666194

About 3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide

3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide (PubChem CID 66666194) has the molecular formula C32H38ClN5O4 and a molecular weight of 592.14 g/mol. Its IUPAC name is 3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide
• PubChem CID: 66666194
• Molecular Formula: C32H38ClN5O4
• Molecular Weight: 592.14 g/mol
• Exact Mass: 591.26
• IUPAC Name: 3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(=O)NCC(Cc2ccc(-c3cn4cccc(CCO)c4n3)cc2)NC(=O)CN(C)C)cc1Cl
• InChI: InChI=1S/C32H38ClN5O4/c1-21(2)42-29-12-11-25(17-27(29)33)32(41)34-18-26(35-30(40)20-37(3)4)16-22-7-9-23(10-8-22)28-19-38-14-5-6-24(13-15-39)31(38)36-28/h5-12,14,17,19,21,26,39H,13,15-16,18,20H2,1-4H3,(H,34,41)(H,35,40)
• InChIKey: OKSKJTNUMGUQJP-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 108.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.14
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide (CID 66666194) is 3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide.

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

The canonical SMILES for 3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC(Cc2ccc(-c3cn4cccc(CCO)c4n3)cc2)NC(=O)CN(C)C)cc1Cl.

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

The InChIKey is OKSKJTNUMGUQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN5O4/c1-21(2)42-29-12-11-25(17-27(29)33)32(41)34-18-26(35-30(40)20-37(3)4)16-22-7-9-23(10-8-22)28-19-38-14-5-6-24(13-15-39)31(38)36-28/h5-12,14,17,19,21,26,39H,13,15-16,18,20H2,1-4H3,(H,34,41)(H,35,40).

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

3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide has a molecular weight of 592.14 g/mol, XLogP of 4.00, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 66666194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).