[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone

C105H99F6N21O4 — CID 167627093

About [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone

[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 167627093) has the molecular formula C105H99F6N21O4 and a molecular weight of 1833.08 g/mol. Its IUPAC name is [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 167627093
• Molecular Formula: C105H99F6N21O4
• Molecular Weight: 1833.08 g/mol
• Exact Mass: 1831.81
• IUPAC Name: [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone
• SMILES: CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.O=C(c1c(-c2ccccc2)nc2ccccn12)N1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1.O=C(c1c(-c2ccccc2)nc2ccccn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1.O=C(c1c(-c2ccccc2)nn2ccccc12)N1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C28H25N5O.C27H30N6O.2C25H22F3N5O/c34-28(27-26(22-12-5-2-6-13-22)29-25-15-7-8-17-33(25)27)32-18-9-14-23(32)20-31-19-16-24(30-31)21-10-3-1-4-11-21;1-3-20-16-28-27(29-17-20)30-18-22-19(2)10-9-15-32(22)26(34)25-24(21-11-5-4-6-12-21)31-23-13-7-8-14-33(23)25;26-25(27,28)18-11-12-21(29-15-18)30-16-19-9-6-13-32(19)24(34)22-20-10-4-5-14-33(20)31-23(22)17-7-2-1-3-8-17;26-25(27,28)18-11-12-20(29-15-18)30-16-19-9-6-14-32(19)24(34)23-22(17-7-2-1-3-8-17)31-21-10-4-5-13-33(21)23/h1-8,10-13,15-17,19,23H,9,14,18,20H2;4-8,11-14,16-17,19,22H,3,9-10,15,18H2,1-2H3,(H,28,29,30);1-5,7-8,10-12,14-15,19H,6,9,13,16H2,(H,29,30);1-5,7-8,10-13,15,19H,6,9,14,16H2,(H,29,30)/t23-;19-,22-;2*19-/m0100/s1
• InChIKey: NGNMSGBVIUIMGO-VDIUYMFFSA-N
• XLogP: 20.14
• TPSA: 255.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1833.08
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone (CID 167627093) is [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone is CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.O=C(c1c(-c2ccccc2)nc2ccccn12)N1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1.O=C(c1c(-c2ccccc2)nc2ccccn12)N1CCC[C@H]1Cn1ccc(-c2ccccc2)n1.O=C(c1c(-c2ccccc2)nn2ccccc12)N1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1.

What is the InChIKey of [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?

The InChIKey is NGNMSGBVIUIMGO-VDIUYMFFSA-N. The full InChI is InChI=1S/C28H25N5O.C27H30N6O.2C25H22F3N5O/c34-28(27-26(22-12-5-2-6-13-22)29-25-15-7-8-17-33(25)27)32-18-9-14-23(32)20-31-19-16-24(30-31)21-10-3-1-4-11-21;1-3-20-16-28-27(29-17-20)30-18-22-19(2)10-9-15-32(22)26(34)25-24(21-11-5-4-6-12-21)31-23-13-7-8-14-33(23)25;26-25(27,28)18-11-12-21(29-15-18)30-16-19-9-6-13-32(19)24(34)22-20-10-4-5-14-33(20)31-23(22)17-7-2-1-3-8-17;26-25(27,28)18-11-12-20(29-15-18)30-16-19-9-6-14-32(19)24(34)23-22(17-7-2-1-3-8-17)31-21-10-4-5-13-33(21)23/h1-8,10-13,15-17,19,23H,9,14,18,20H2;4-8,11-14,16-17,19,22H,3,9-10,15,18H2,1-2H3,(H,28,29,30);1-5,7-8,10-12,14-15,19H,6,9,13,16H2,(H,29,30);1-5,7-8,10-13,15,19H,6,9,14,16H2,(H,29,30)/t23-;19-,22-;2*19-/m0100/s1.

What are the key properties of [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone?

[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 1833.08 g/mol, XLogP of 20.14, 21 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167627093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).