N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide

C102H97F8N21O10S — CID 163581555

About N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide

N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 163581555) has the molecular formula C102H97F8N21O10S and a molecular weight of 1961.09 g/mol. Its IUPAC name is N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide
• PubChem CID: 163581555
• Molecular Formula: C102H97F8N21O10S
• Molecular Weight: 1961.09 g/mol
• Exact Mass: 1959.73
• IUPAC Name: N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide
• SMILES: CC(F)Oc1cccc(-c2cn(-c3ccc(F)cc3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)ncc23)c1.CC(F)Oc1cccc(-c2cn(-c3ncc(F)cn3)c3cc(C(=O)N[C@@H]4CCC[C@@H]4N)cnc23)c1.CC(F)Oc1cccc(-c2cn(-c3ncc(F)cn3)c3cc(C(=O)N[C@@H]4CCC[C@H]4N)cnc23)c1.CC(F)Oc1cccc(-c2cn(-c3ncc(F)cn3)c3cc(C(=O)N[C@H]4CCC[C@H]4N)cnc23)c1
• InChI: InChI=1S/C27H25F2N3O4S.3C25H24F2N6O2/c1-17(28)36-21-5-3-4-18(12-21)23-15-32(20-8-6-19(29)7-9-20)25-13-24(30-14-22(23)25)26(33)31-27(2)10-11-37(34,35)16-27;3*1-14(26)35-18-5-2-4-15(8-18)19-13-33(25-30-11-17(27)12-31-25)22-9-16(10-29-23(19)22)24(34)32-21-7-3-6-20(21)28/h3-9,12-15,17H,10-11,16H2,1-2H3,(H,31,33);3*2,4-5,8-14,20-21H,3,6-7,28H2,1H3,(H,32,34)/t17?,27-;2*14?,20-,21+;14?,20-,21-/m0101/s1
• InChIKey: GHYOSLODZKFXJJ-FKUAKEKMSA-N
• XLogP: 16.61
• TPSA: 414.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.09
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide?

The IUPAC name of N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide (CID 163581555) is N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide.

What is the SMILES notation for N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide?

The canonical SMILES for N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide is CC(F)Oc1cccc(-c2cn(-c3ccc(F)cc3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)ncc23)c1.CC(F)Oc1cccc(-c2cn(-c3ncc(F)cn3)c3cc(C(=O)N[C@@H]4CCC[C@@H]4N)cnc23)c1.CC(F)Oc1cccc(-c2cn(-c3ncc(F)cn3)c3cc(C(=O)N[C@@H]4CCC[C@H]4N)cnc23)c1.CC(F)Oc1cccc(-c2cn(-c3ncc(F)cn3)c3cc(C(=O)N[C@H]4CCC[C@H]4N)cnc23)c1.

What is the InChIKey of N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide?

The InChIKey is GHYOSLODZKFXJJ-FKUAKEKMSA-N. The full InChI is InChI=1S/C27H25F2N3O4S.3C25H24F2N6O2/c1-17(28)36-21-5-3-4-18(12-21)23-15-32(20-8-6-19(29)7-9-20)25-13-24(30-14-22(23)25)26(33)31-27(2)10-11-37(34,35)16-27;3*1-14(26)35-18-5-2-4-15(8-18)19-13-33(25-30-11-17(27)12-31-25)22-9-16(10-29-23(19)22)24(34)32-21-7-3-6-20(21)28/h3-9,12-15,17H,10-11,16H2,1-2H3,(H,31,33);3*2,4-5,8-14,20-21H,3,6-7,28H2,1H3,(H,32,34)/t17?,27-;2*14?,20-,21+;14?,20-,21-/m0101/s1.

What are the key properties of N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide?

N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 1961.09 g/mol, XLogP of 16.61, 24 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2R)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;N-[(1R,2S)-2-aminocyclopentyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 163581555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).