(2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C90H91F8N31O5 — CID 158693104

About (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

(2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 158693104) has the molecular formula C90H91F8N31O5 and a molecular weight of 1838.91 g/mol. Its IUPAC name is (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 158693104
• Molecular Formula: C90H91F8N31O5
• Molecular Weight: 1838.91 g/mol
• Exact Mass: 1837.77
• IUPAC Name: (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: CC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3cc(F)c(C4CC4)cn23)n1.COc1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)ccn1.C[C@H]1[C@H](C(N)=O)NCCN1c1ccnc(-c2cnc3cc(F)c(C4CC4)cn23)n1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C5CCOCC5)C(c5cn[nH]c5)C4)n3)n2c1
• InChI: InChI=1S/C26H22F3N9O2.C24H25F3N8O.2C20H22FN7O/c1-40-23-10-16(4-6-30-23)25(39)37-9-8-36(15-20(37)17-11-33-34-12-17)22-5-7-31-24(35-22)19-13-32-21-3-2-18(14-38(19)21)26(27,28)29;25-24(26,27)17-1-2-21-29-13-19(35(21)14-17)23-28-6-3-22(32-23)33-7-8-34(18-4-9-36-10-5-18)20(15-33)16-11-30-31-12-16;2*1-11-18(19(22)29)23-6-7-27(11)16-4-5-24-20(26-16)15-9-25-17-8-14(21)13(10-28(15)17)12-2-3-12/h2-7,10-14,20H,8-9,15H2,1H3,(H,33,34);1-3,6,11-14,18,20H,4-5,7-10,15H2,(H,30,31);2*4-5,8-12,18,23H,2-3,6-7H2,1H3,(H2,22,29)/t;;11-,18+;/m..0./s1
• InChIKey: IGPGXHZJLFTFET-NRGGUNAQSA-N
• XLogP: 10.14
• TPSA: 407.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1838.91
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The IUPAC name of (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 158693104) is (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

What is the SMILES notation for (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The canonical SMILES for (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1C(C(N)=O)NCCN1c1ccnc(-c2cnc3cc(F)c(C4CC4)cn23)n1.COc1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)ccn1.C[C@H]1[C@H](C(N)=O)NCCN1c1ccnc(-c2cnc3cc(F)c(C4CC4)cn23)n1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(C5CCOCC5)C(c5cn[nH]c5)C4)n3)n2c1.

What is the InChIKey of (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is IGPGXHZJLFTFET-NRGGUNAQSA-N. The full InChI is InChI=1S/C26H22F3N9O2.C24H25F3N8O.2C20H22FN7O/c1-40-23-10-16(4-6-30-23)25(39)37-9-8-36(15-20(37)17-11-33-34-12-17)22-5-7-31-24(35-22)19-13-32-21-3-2-18(14-38(19)21)26(27,28)29;25-24(26,27)17-1-2-21-29-13-19(35(21)14-17)23-28-6-3-22(32-23)33-7-8-34(18-4-9-36-10-5-18)20(15-33)16-11-30-31-12-16;2*1-11-18(19(22)29)23-6-7-27(11)16-4-5-24-20(26-16)15-9-25-17-8-14(21)13(10-28(15)17)12-2-3-12/h2-7,10-14,20H,8-9,15H2,1H3,(H,33,34);1-3,6,11-14,18,20H,4-5,7-10,15H2,(H,30,31);2*4-5,8-12,18,23H,2-3,6-7H2,1H3,(H2,22,29)/t;;11-,18+;/m..0./s1.

What are the key properties of (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

(2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 1838.91 g/mol, XLogP of 10.14, 17 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-methylpiperazine-2-carboxamide;(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(oxan-4-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 158693104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).