N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

C29H30ClN7O2S — CID 59255838

About N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 59255838) has the molecular formula C29H30ClN7O2S and a molecular weight of 576.13 g/mol. Its IUPAC name is N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
• PubChem CID: 59255838
• Molecular Formula: C29H30ClN7O2S
• Molecular Weight: 576.13 g/mol
• Exact Mass: 575.19
• IUPAC Name: N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
• SMILES: CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N3CCC(N(C)C)CC3)cc1Cl)CC2
• InChI: InChI=1S/C29H30ClN7O2S/c1-17(38)32-29-33-23-8-7-21-25(19-5-4-12-31-16-19)34-37(26(21)27(23)40-29)24-9-6-18(15-22(24)30)28(39)36-13-10-20(11-14-36)35(2)3/h4-6,9,12,15-16,20H,7-8,10-11,13-14H2,1-3H3,(H,32,33,38)
• InChIKey: FKBOAFZGJQHTIZ-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 96.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.13
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?

The IUPAC name of N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (CID 59255838) is N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.

What is the SMILES notation for N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?

The canonical SMILES for N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(C(=O)N3CCC(N(C)C)CC3)cc1Cl)CC2.

What is the InChIKey of N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?

The InChIKey is FKBOAFZGJQHTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN7O2S/c1-17(38)32-29-33-23-8-7-21-25(19-5-4-12-31-16-19)34-37(26(21)27(23)40-29)24-9-6-18(15-22(24)30)28(39)36-13-10-20(11-14-36)35(2)3/h4-6,9,12,15-16,20H,7-8,10-11,13-14H2,1-3H3,(H,32,33,38).

What are the key properties of N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?

N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 576.13 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-chloro-4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 59255838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).