5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one

C57H66ClF9N14O3 — CID 165089935

About 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one

5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one (PubChem CID 165089935) has the molecular formula C57H66ClF9N14O3 and a molecular weight of 1201.68 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one.

Molecular Properties

• Compound Name: 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one
• PubChem CID: 165089935
• Molecular Formula: C57H66ClF9N14O3
• Molecular Weight: 1201.68 g/mol
• Exact Mass: 1200.50
• IUPAC Name: 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one
• SMILES: C.Clc1ncnc2[nH]ccc12.Cn1cc(C(=O)CCCC(F)(F)F)c2c1CCN(c1ncnc3[nH]ccc13)C2.Cn1cc(C(=O)NCCC(F)(F)F)c2c1CCN(Cc1ccccc1)C2.Cn1cc(C(=O)NCCC(F)(F)F)c2c1CCNC2
• InChI: InChI=1S/C19H20F3N5O.C19H22F3N3O.C12H16F3N3O.C6H4ClN3.CH4/c1-26-9-14(16(28)3-2-6-19(20,21)22)13-10-27(8-5-15(13)26)18-12-4-7-23-17(12)24-11-25-18;1-24-12-16(18(26)23-9-8-19(20,21)22)15-13-25(10-7-17(15)24)11-14-5-3-2-4-6-14;1-18-7-9(8-6-16-4-2-10(8)18)11(19)17-5-3-12(13,14)15;7-5-4-1-2-8-6(4)10-3-9-5;/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,23,24,25);2-6,12H,7-11,13H2,1H3,(H,23,26);7,16H,2-6H2,1H3,(H,17,19);1-3H,(H,8,9,10);1H4
• InChIKey: WNIGMWZBLHACLN-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 191.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.68
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one?

The IUPAC name of 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one (CID 165089935) is 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one.

What is the SMILES notation for 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one?

The canonical SMILES for 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one is C.Clc1ncnc2[nH]ccc12.Cn1cc(C(=O)CCCC(F)(F)F)c2c1CCN(c1ncnc3[nH]ccc13)C2.Cn1cc(C(=O)NCCC(F)(F)F)c2c1CCN(Cc1ccccc1)C2.Cn1cc(C(=O)NCCC(F)(F)F)c2c1CCNC2.

What is the InChIKey of 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one?

The InChIKey is WNIGMWZBLHACLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O.C19H22F3N3O.C12H16F3N3O.C6H4ClN3.CH4/c1-26-9-14(16(28)3-2-6-19(20,21)22)13-10-27(8-5-15(13)26)18-12-4-7-23-17(12)24-11-25-18;1-24-12-16(18(26)23-9-8-19(20,21)22)15-13-25(10-7-17(15)24)11-14-5-3-2-4-6-14;1-18-7-9(8-6-16-4-2-10(8)18)11(19)17-5-3-12(13,14)15;7-5-4-1-2-8-6(4)10-3-9-5;/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,23,24,25);2-6,12H,7-11,13H2,1H3,(H,23,26);7,16H,2-6H2,1H3,(H,17,19);1-3H,(H,8,9,10);1H4.

What are the key properties of 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one?

5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one has a molecular weight of 1201.68 g/mol, XLogP of 10.64, 13 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-1-methyl-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxamide;5,5,5-trifluoro-1-[1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl]pentan-1-one is sourced from PubChem (CID 165089935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).