3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C90H94BBr2Cl3F7N19O8 — CID 167621381

About 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 167621381) has the molecular formula C90H94BBr2Cl3F7N19O8 and a molecular weight of 1979.83 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 167621381
• Molecular Formula: C90H94BBr2Cl3F7N19O8
• Molecular Weight: 1979.83 g/mol
• Exact Mass: 1975.49
• IUPAC Name: 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC(C)N1c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(Nc3cnccn3)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(N)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(Nc3cnccn3)C21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.Fc1cnccn1
• InChI: InChI=1S/C29H28ClF2N7O2.C26H25BrClF2N5O2.C22H23BrClF2N3O2.C9H15BN2O2.C4H3FN2/c1-16(2)39-26-21(20-7-8-24(27(20)39)37-25-15-33-11-12-34-25)13-17(14-22(26)23-9-10-35-38-23)28(40)36-18-3-5-19(6-4-18)41-29(30,31)32;1-14(2)35-23-19(18-7-8-21(24(18)35)34-22-13-31-9-10-32-22)11-15(12-20(23)27)25(36)33-16-3-5-17(6-4-16)37-26(28,29)30;1-11(2)29-19-16(15-7-8-18(27)20(15)29)9-12(10-17(19)23)21(30)28-13-3-5-14(6-4-13)31-22(24,25)26;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;5-4-3-6-1-2-7-4/h3-6,9-16,20,24,27H,7-8H2,1-2H3,(H,34,37)(H,35,38)(H,36,40);3-6,9-14,18,21,24H,7-8H2,1-2H3,(H,32,34)(H,33,36);3-6,9-11,15,18,20H,7-8,27H2,1-2H3,(H,28,30);5-6H,1-4H3,(H,11,12);1-3H
• InChIKey: MMIAGRIRMJSRLH-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 327.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1979.83
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 167621381) is 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC(C)N1c2c(-c3ccn[nH]3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(Nc3cnccn3)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(N)C21.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2C2CCC(Nc3cnccn3)C21.CC1(C)OB(c2ccn[nH]2)OC1(C)C.Fc1cnccn1.

What is the InChIKey of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is MMIAGRIRMJSRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF2N7O2.C26H25BrClF2N5O2.C22H23BrClF2N3O2.C9H15BN2O2.C4H3FN2/c1-16(2)39-26-21(20-7-8-24(27(20)39)37-25-15-33-11-12-34-25)13-17(14-22(26)23-9-10-35-38-23)28(40)36-18-3-5-19(6-4-18)41-29(30,31)32;1-14(2)35-23-19(18-7-8-21(24(18)35)34-22-13-31-9-10-32-22)11-15(12-20(23)27)25(36)33-16-3-5-17(6-4-16)37-26(28,29)30;1-11(2)29-19-16(15-7-8-18(27)20(15)29)9-12(10-17(19)23)21(30)28-13-3-5-14(6-4-13)31-22(24,25)26;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;5-4-3-6-1-2-7-4/h3-6,9-16,20,24,27H,7-8H2,1-2H3,(H,34,37)(H,35,38)(H,36,40);3-6,9-14,18,21,24H,7-8H2,1-2H3,(H,32,34)(H,33,36);3-6,9-11,15,18,20H,7-8,27H2,1-2H3,(H,28,30);5-6H,1-4H3,(H,11,12);1-3H.

What are the key properties of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1979.83 g/mol, XLogP of 19.85, 21 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-propan-2-yl-3-(pyrazin-2-ylamino)-5-(1H-pyrazol-5-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carboxamide;2-fluoropyrazine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 167621381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).