[5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone

C85H93F4N23O7 — CID 160935584

About [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 160935584) has the molecular formula C85H93F4N23O7 and a molecular weight of 1624.82 g/mol. Its IUPAC name is [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 160935584
• Molecular Formula: C85H93F4N23O7
• Molecular Weight: 1624.82 g/mol
• Exact Mass: 1623.76
• IUPAC Name: [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
• SMILES: CC(Oc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1)C(C)(F)F.CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCCC(C)(F)F)ccn5)n4)ccc3[nH]2)CC1.COCCn1cncc1COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1
• InChI: InChI=1S/C30H33N9O3.C28H31F2N7O2.C27H29F2N7O2/c1-37-9-11-38(12-10-37)29(40)28-16-21-15-22(3-4-25(21)35-28)34-30-33-8-6-26(36-30)27-17-24(5-7-32-27)42-19-23-18-31-20-39(23)13-14-41-2;1-28(29,30)8-3-15-39-21-6-9-31-24(18-21)23-7-10-32-27(35-23)33-20-4-5-22-19(16-20)17-25(34-22)26(38)37-13-11-36(2)12-14-37;1-17(27(2,28)29)38-20-6-8-30-23(16-20)22-7-9-31-26(34-22)32-19-4-5-21-18(14-19)15-24(33-21)25(37)36-12-10-35(3)11-13-36/h3-8,15-18,20,35H,9-14,19H2,1-2H3,(H,33,34,36);4-7,9-10,16-18,34H,3,8,11-15H2,1-2H3,(H,32,33,35);4-9,14-17,33H,10-13H2,1-3H3,(H,31,32,34)
• InChIKey: STVIVQGYKSSPGR-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 324.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.82
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 160935584) is [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

The canonical SMILES for [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone is CC(Oc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1)C(C)(F)F.CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCCC(C)(F)F)ccn5)n4)ccc3[nH]2)CC1.COCCn1cncc1COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.

What is the InChIKey of [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

The InChIKey is STVIVQGYKSSPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N9O3.C28H31F2N7O2.C27H29F2N7O2/c1-37-9-11-38(12-10-37)29(40)28-16-21-15-22(3-4-25(21)35-28)34-30-33-8-6-26(36-30)27-17-24(5-7-32-27)42-19-23-18-31-20-39(23)13-14-41-2;1-28(29,30)8-3-15-39-21-6-9-31-24(18-21)23-7-10-32-27(35-23)33-20-4-5-22-19(16-20)17-25(34-22)26(38)37-13-11-36(2)12-14-37;1-17(27(2,28)29)38-20-6-8-30-23(16-20)22-7-9-31-26(34-22)32-19-4-5-21-18(14-19)15-24(33-21)25(37)36-12-10-35(3)11-13-36/h3-8,15-18,20,35H,9-14,19H2,1-2H3,(H,33,34,36);4-7,9-10,16-18,34H,3,8,11-15H2,1-2H3,(H,32,33,35);4-9,14-17,33H,10-13H2,1-3H3,(H,31,32,34).

What are the key properties of [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone?

[5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 1624.82 g/mol, XLogP of 13.11, 26 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[4-[4-(3,3-difluorobutan-2-yloxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(4,4-difluoropentoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methoxy]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 160935584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).