2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C148H165F7N24O10S — CID 159810403

About 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 159810403) has the molecular formula C148H165F7N24O10S and a molecular weight of 2605.16 g/mol. Its IUPAC name is 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 159810403
• Molecular Formula: C148H165F7N24O10S
• Molecular Weight: 2605.16 g/mol
• Exact Mass: 2603.27
• IUPAC Name: 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: COc1cccc(F)c1CN1CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CC(C(C)(F)F)C1.COc1cccc(F)c1CN1CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CC(C(C)(F)F)C1.COc1cccc(F)c1CN1CCC[C@@H](CC(=O)N2CCc3[nH]nc(-c4ccc5oc(C)nc5c4)c3C2)C1.Cc1nc2cc(-c3n[nH]c4c3CN(C(=O)C[C@@H]3CCCN(Cc5ccccc5)C3)CC4)ccc2o1.Cc1nc2cc(-c3n[nH]c4c3CN(C(=O)N[C@@H]3CCCN(Cc5ccc6ccccc6c5)C3)CC4)ccc2s1
• InChI: InChI=1S/C31H32N6OS.2C30H35F3N4O2.C29H32FN5O3.C28H31N5O2/c1-20-32-28-16-24(10-11-29(28)39-20)30-26-19-37(14-12-27(26)34-35-30)31(38)33-25-7-4-13-36(18-25)17-21-8-9-22-5-2-3-6-23(22)15-21;2*1-19-11-21(7-9-34-19)29-24-18-37(10-8-22(24)14-35-29)28(38)13-20-12-23(30(2,32)33)16-36(15-20)17-25-26(31)5-4-6-27(25)39-3;1-18-31-25-14-20(8-9-27(25)38-18)29-22-17-35(12-10-24(22)32-33-29)28(36)13-19-5-4-11-34(15-19)16-21-23(30)6-3-7-26(21)37-2;1-19-29-25-15-22(9-10-26(25)35-19)28-23-18-33(13-11-24(23)30-31-28)27(34)14-21-8-5-12-32(17-21)16-20-6-3-2-4-7-20/h2-3,5-6,8-11,15-16,25H,4,7,12-14,17-19H2,1H3,(H,33,38)(H,34,35);2*4-7,9,11,20,23H,8,10,12-18H2,1-3H3;3,6-9,14,19H,4-5,10-13,15-17H2,1-2H3,(H,32,33);2-4,6-7,9-10,15,21H,5,8,11-14,16-18H2,1H3,(H,30,31)/t25-;;;19-;21-/m1..00/s1
• InChIKey: NKYHMIWHSLRIHJ-RZKRXDAJSA-N
• XLogP: 25.56
• TPSA: 358.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2605.16
LogP ≤ 5	25.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 159810403) is 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is COc1cccc(F)c1CN1CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CC(C(C)(F)F)C1.COc1cccc(F)c1CN1CC(CC(=O)N2CCC3=C(C2)C(c2ccnc(C)c2)=NC3)CC(C(C)(F)F)C1.COc1cccc(F)c1CN1CCC[C@@H](CC(=O)N2CCc3[nH]nc(-c4ccc5oc(C)nc5c4)c3C2)C1.Cc1nc2cc(-c3n[nH]c4c3CN(C(=O)C[C@@H]3CCCN(Cc5ccccc5)C3)CC4)ccc2o1.Cc1nc2cc(-c3n[nH]c4c3CN(C(=O)N[C@@H]3CCCN(Cc5ccc6ccccc6c5)C3)CC4)ccc2s1.

What is the InChIKey of 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is NKYHMIWHSLRIHJ-RZKRXDAJSA-N. The full InChI is InChI=1S/C31H32N6OS.2C30H35F3N4O2.C29H32FN5O3.C28H31N5O2/c1-20-32-28-16-24(10-11-29(28)39-20)30-26-19-37(14-12-27(26)34-35-30)31(38)33-25-7-4-13-36(18-25)17-21-8-9-22-5-2-3-6-23(22)15-21;2*1-19-11-21(7-9-34-19)29-24-18-37(10-8-22(24)14-35-29)28(38)13-20-12-23(30(2,32)33)16-36(15-20)17-25-26(31)5-4-6-27(25)39-3;1-18-31-25-14-20(8-9-27(25)38-18)29-22-17-35(12-10-24(22)32-33-29)28(36)13-19-5-4-11-34(15-19)16-21-23(30)6-3-7-26(21)37-2;1-19-29-25-15-22(9-10-26(25)35-19)28-23-18-33(13-11-24(23)30-31-28)27(34)14-21-8-5-12-32(17-21)16-20-6-3-2-4-7-20/h2-3,5-6,8-11,15-16,25H,4,7,12-14,17-19H2,1H3,(H,33,38)(H,34,35);2*4-7,9,11,20,23H,8,10,12-18H2,1-3H3;3,6-9,14,19H,4-5,10-13,15-17H2,1-2H3,(H,32,33);2-4,6-7,9-10,15,21H,5,8,11-14,16-18H2,1H3,(H,30,31)/t25-;;;19-;21-/m1..00/s1.

What are the key properties of 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 2605.16 g/mol, XLogP of 25.56, 29 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone);2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2-methyl-1,3-benzothiazol-5-yl)-N-[(3R)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159810403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).