N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C26H33ClN6O2S — CID 70896231

About N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 70896231) has the molecular formula C26H33ClN6O2S and a molecular weight of 529.11 g/mol. Its IUPAC name is N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 70896231
• Molecular Formula: C26H33ClN6O2S
• Molecular Weight: 529.11 g/mol
• Exact Mass: 528.21
• IUPAC Name: N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CCCN1C[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C(C)C)CC3)C1
• InChI: InChI=1S/C26H33ClN6O2S/c1-4-8-32-12-21(29-24(34)20-11-16-10-17(27)5-6-18(16)28-20)22(13-32)30-25(35)26-31-19-7-9-33(15(2)3)14-23(19)36-26/h5-6,10-11,15,21-22,28H,4,7-9,12-14H2,1-3H3,(H,29,34)(H,30,35)/t21-,22-/m1/s1
• InChIKey: LTTSBDPDBICCJG-FGZHOGPDSA-N
• XLogP: 3.67
• TPSA: 93.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.11
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 70896231) is N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CCCN1C[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C(C)C)CC3)C1.

What is the InChIKey of N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is LTTSBDPDBICCJG-FGZHOGPDSA-N. The full InChI is InChI=1S/C26H33ClN6O2S/c1-4-8-32-12-21(29-24(34)20-11-16-10-17(27)5-6-18(16)28-20)22(13-32)30-25(35)26-31-19-7-9-33(15(2)3)14-23(19)36-26/h5-6,10-11,15,21-22,28H,4,7-9,12-14H2,1-3H3,(H,29,34)(H,30,35)/t21-,22-/m1/s1.

What are the key properties of N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 529.11 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propylpyrrolidin-3-yl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 70896231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).