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

C107H104F8N20O14S2 — CID 163730521

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

N-[(3R)-4-(dimethylamino)oxolan-3-yl]-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-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]pyrrolo[3,2-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide (PubChem CID 163730521) has the molecular formula C107H104F8N20O14S2 and a molecular weight of 2110.25 g/mol. Its IUPAC name is N-[(3R)-4-(dimethylamino)oxolan-3-yl]-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-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]pyrrolo[3,2-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-4-(dimethylamino)oxolan-3-yl]-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-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]pyrrolo[3,2-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide
• PubChem CID: 163730521
• Molecular Formula: C107H104F8N20O14S2
• Molecular Weight: 2110.25 g/mol
• Exact Mass: 2108.74
• IUPAC Name: N-[(3R)-4-(dimethylamino)oxolan-3-yl]-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-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]pyrrolo[3,2-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide
• SMILES: CC(F)Oc1cccc(-c2cn(-c3ccc(F)cc3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2cn(-c3ncc(F)cn3)c3cc(C(=O)N[C@@H]4CCC[C@H]4N4CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2cn(-c3ncc(F)cn3)c3cc(C(=O)N[C@H]4COCC4N(C)C)cnc23)c1.CC(F)Oc1cncc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)ncc23)c1
• InChI: InChI=1S/C29H30F2N6O3.C27H25F2N3O4S.C26H26F2N6O3.C25H23F2N5O4S/c1-18(30)40-22-5-2-4-19(12-22)23-17-37(29-33-15-21(31)16-34-29)26-13-20(14-32-27(23)26)28(38)35-24-6-3-7-25(24)36-8-10-39-11-9-36;1-17(28)36-22-5-3-4-18(12-22)23-15-32(21-8-6-20(29)7-9-21)24-13-19(14-30-25(23)24)26(33)31-27(2)10-11-37(34,35)16-27;1-15(27)37-19-6-4-5-16(7-19)20-12-34(26-30-10-18(28)11-31-26)22-8-17(9-29-24(20)22)25(35)32-21-13-36-14-23(21)33(2)3;1-15(26)36-19-9-16(11-28-12-19)23-20-13-29-21(24(33)30-25(2)7-8-37(34,35)14-25)10-22(20)32(31-23)18-5-3-17(27)4-6-18/h2,4-5,12-18,24-25H,3,6-11H2,1H3,(H,35,38);3-9,12-15,17H,10-11,16H2,1-2H3,(H,31,33);4-12,15,21,23H,13-14H2,1-3H3,(H,32,35);3-6,9-13,15H,7-8,14H2,1-2H3,(H,30,33)/t18?,24-,25-;17?,27-;15?,21-,23?;15?,25-/m1000/s1
• InChIKey: KZEBIUGVYHYATD-CQXCSHGISA-N
• XLogP: 16.13
• TPSA: 395.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.25
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of N-[(3R)-4-(dimethylamino)oxolan-3-yl]-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-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]pyrrolo[3,2-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide (CID 163730521) is N-[(3R)-4-(dimethylamino)oxolan-3-yl]-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-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]pyrrolo[3,2-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide.

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

The canonical SMILES for N-[(3R)-4-(dimethylamino)oxolan-3-yl]-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-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]pyrrolo[3,2-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide is CC(F)Oc1cccc(-c2cn(-c3ccc(F)cc3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2cn(-c3ncc(F)cn3)c3cc(C(=O)N[C@@H]4CCC[C@H]4N4CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2cn(-c3ncc(F)cn3)c3cc(C(=O)N[C@H]4COCC4N(C)C)cnc23)c1.CC(F)Oc1cncc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)ncc23)c1.

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

The InChIKey is KZEBIUGVYHYATD-CQXCSHGISA-N. The full InChI is InChI=1S/C29H30F2N6O3.C27H25F2N3O4S.C26H26F2N6O3.C25H23F2N5O4S/c1-18(30)40-22-5-2-4-19(12-22)23-17-37(29-33-15-21(31)16-34-29)26-13-20(14-32-27(23)26)28(38)35-24-6-3-7-25(24)36-8-10-39-11-9-36;1-17(28)36-22-5-3-4-18(12-22)23-15-32(21-8-6-20(29)7-9-21)24-13-19(14-30-25(23)24)26(33)31-27(2)10-11-37(34,35)16-27;1-15(27)37-19-6-4-5-16(7-19)20-12-34(26-30-10-18(28)11-31-26)22-8-17(9-29-24(20)22)25(35)32-21-13-36-14-23(21)33(2)3;1-15(26)36-19-9-16(11-28-12-19)23-20-13-29-21(24(33)30-25(2)7-8-37(34,35)14-25)10-22(20)32(31-23)18-5-3-17(27)4-6-18/h2,4-5,12-18,24-25H,3,6-11H2,1H3,(H,35,38);3-9,12-15,17H,10-11,16H2,1-2H3,(H,31,33);4-12,15,21,23H,13-14H2,1-3H3,(H,32,35);3-6,9-13,15H,7-8,14H2,1-2H3,(H,30,33)/t18?,24-,25-;17?,27-;15?,21-,23?;15?,25-/m1000/s1.

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

N-[(3R)-4-(dimethylamino)oxolan-3-yl]-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-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]pyrrolo[3,2-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide has a molecular weight of 2110.25 g/mol, XLogP of 16.13, 26 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-4-(dimethylamino)oxolan-3-yl]-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-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)-N-[(1R,2R)-2-morpholin-4-ylcyclopentyl]pyrrolo[3,2-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-(4-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 163730521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).