[5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone

C81H84ClN19O8 — CID 160973320

About [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone

[5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone (PubChem CID 160973320) has the molecular formula C81H84ClN19O8 and a molecular weight of 1487.14 g/mol. Its IUPAC name is [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
• PubChem CID: 160973320
• Molecular Formula: C81H84ClN19O8
• Molecular Weight: 1487.14 g/mol
• Exact Mass: 1485.64
• IUPAC Name: [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
• SMILES: CC1CCC(Oc2ccnc(-c3ccnc(Nc4ccc5[nH]c(C(=O)N6CCOCC6)cc5c4)n3)c2)C1.CCCCOc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1)N1CCC(N2CCCC2=O)CC1
• InChI: InChI=1S/C28H30N6O3.C27H26ClN7O2.C26H28N6O3/c1-18-2-4-21(14-18)37-22-6-8-29-25(17-22)24-7-9-30-28(33-24)31-20-3-5-23-19(15-20)16-26(32-23)27(35)34-10-12-36-13-11-34;28-20-16-18(31-27-30-10-6-22(33-27)21-4-1-2-9-29-21)14-17-15-23(32-25(17)20)26(37)34-12-7-19(8-13-34)35-11-3-5-24(35)36;1-2-3-12-35-20-6-8-27-23(17-20)22-7-9-28-26(31-22)29-19-4-5-21-18(15-19)16-24(30-21)25(33)32-10-13-34-14-11-32/h3,5-9,15-18,21,32H,2,4,10-14H2,1H3,(H,30,31,33);1-2,4,6,9-10,14-16,19,32H,3,5,7-8,11-13H2,(H,30,31,33);4-9,15-17,30H,2-3,10-14H2,1H3,(H,28,29,31)
• InChIKey: SYNSSDGSSWBUFO-UHFFFAOYSA-N
• XLogP: 13.86
• TPSA: 317.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1487.14
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

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-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?

The IUPAC name of [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone (CID 160973320) is [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone is CC1CCC(Oc2ccnc(-c3ccnc(Nc4ccc5[nH]c(C(=O)N6CCOCC6)cc5c4)n3)c2)C1.CCCCOc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1.O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1)N1CCC(N2CCCC2=O)CC1.

What is the InChIKey of [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?

The InChIKey is SYNSSDGSSWBUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3.C27H26ClN7O2.C26H28N6O3/c1-18-2-4-21(14-18)37-22-6-8-29-25(17-22)24-7-9-30-28(33-24)31-20-3-5-23-19(15-20)16-26(32-23)27(35)34-10-12-36-13-11-34;28-20-16-18(31-27-30-10-6-22(33-27)21-4-1-2-9-29-21)14-17-15-23(32-25(17)20)26(37)34-12-7-19(8-13-34)35-11-3-5-24(35)36;1-2-3-12-35-20-6-8-27-23(17-20)22-7-9-28-26(31-22)29-19-4-5-21-18(15-19)16-24(30-21)25(33)32-10-13-34-14-11-32/h3,5-9,15-18,21,32H,2,4,10-14H2,1H3,(H,30,31,33);1-2,4,6,9-10,14-16,19,32H,3,5,7-8,11-13H2,(H,30,31,33);4-9,15-17,30H,2-3,10-14H2,1H3,(H,28,29,31).

What are the key properties of [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?

[5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 1487.14 g/mol, XLogP of 13.86, 19 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;1-[1-[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one;[5-[[4-[4-(3-methylcyclopentyl)oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 160973320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).