2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride

C151H184Cl3F15N34O20S5 — CID 158504081

About 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride

2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride (PubChem CID 158504081) has the molecular formula C151H184Cl3F15N34O20S5 and a molecular weight of 3347.01 g/mol. Its IUPAC name is 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride
• PubChem CID: 158504081
• Molecular Formula: C151H184Cl3F15N34O20S5
• Molecular Weight: 3347.01 g/mol
• Exact Mass: 3343.19
• IUPAC Name: 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride
• SMILES: Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)nc2Cl)nc1NCCCC1CCC(C)(C)C1.Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)nc2Cl)nc1NCCCC1CNC(C)(C)C1.Cc1ccc2nc1NCCCC1CN(c3nc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)ccc3C(=O)NS2(=O)=O)C(C)(C)C1.Cc1ccc2nc1NCCCC1CN(c3nc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)ccc3C(=O)NS2(=O)=O)C(C)(C)C1.Cc1ccc2nc1NCCCC1CN(c3nc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)ccc3C(=O)NS2(=O)=O)C(C)(C)C1.Cl
• InChI: InChI=1S/C31H38ClF3N6O4S.C30H37ClF3N7O4S.3C30H36F3N7O4S.ClH/c1-20-6-9-25(38-27(20)36-16-4-5-21-10-12-29(2,3)19-21)46(43,44)40-28(42)22-7-8-23(37-26(22)32)41-17-11-24(39-41)45-18-15-30(13-14-30)31(33,34)35;1-19-6-9-24(38-26(19)35-14-4-5-20-17-28(2,3)36-18-20)46(43,44)40-27(42)21-7-8-22(37-25(21)31)41-15-10-23(39-41)45-16-13-29(11-12-29)30(32,33)34;3*1-19-6-9-24-36-25(19)34-14-4-5-20-17-28(2,3)39(18-20)26-21(27(41)38-45(24,42)43)7-8-22(35-26)40-15-10-23(37-40)44-16-13-29(11-12-29)30(31,32)33;/h6-9,11,17,21H,4-5,10,12-16,18-19H2,1-3H3,(H,36,38)(H,40,42);6-10,15,20,36H,4-5,11-14,16-18H2,1-3H3,(H,35,38)(H,40,42);3*6-10,15,20H,4-5,11-14,16-18H2,1-3H3,(H,34,36)(H,38,41);1H
• InChIKey: KGNVAQVHURURKB-UHFFFAOYSA-N
• XLogP: 27.76
• TPSA: 662.25 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 49
• Rotatable Bonds: 41
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3347.01
LogP ≤ 5	27.76
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride?

The IUPAC name of 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride (CID 158504081) is 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride.

What is the SMILES notation for 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride?

The canonical SMILES for 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride is Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)nc2Cl)nc1NCCCC1CCC(C)(C)C1.Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)nc2Cl)nc1NCCCC1CNC(C)(C)C1.Cc1ccc2nc1NCCCC1CN(c3nc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)ccc3C(=O)NS2(=O)=O)C(C)(C)C1.Cc1ccc2nc1NCCCC1CN(c3nc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)ccc3C(=O)NS2(=O)=O)C(C)(C)C1.Cc1ccc2nc1NCCCC1CN(c3nc(-n4ccc(OCCC5(C(F)(F)F)CC5)n4)ccc3C(=O)NS2(=O)=O)C(C)(C)C1.Cl.

What is the InChIKey of 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride?

The InChIKey is KGNVAQVHURURKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38ClF3N6O4S.C30H37ClF3N7O4S.3C30H36F3N7O4S.ClH/c1-20-6-9-25(38-27(20)36-16-4-5-21-10-12-29(2,3)19-21)46(43,44)40-28(42)22-7-8-23(37-26(22)32)41-17-11-24(39-41)45-18-15-30(13-14-30)31(33,34)35;1-19-6-9-24(38-26(19)35-14-4-5-20-17-28(2,3)36-18-20)46(43,44)40-27(42)21-7-8-22(37-25(21)31)41-15-10-23(39-41)45-16-13-29(11-12-29)30(32,33)34;3*1-19-6-9-24-36-25(19)34-14-4-5-20-17-28(2,3)39(18-20)26-21(27(41)38-45(24,42)43)7-8-22(35-26)40-15-10-23(37-40)44-16-13-29(11-12-29)30(31,32)33;/h6-9,11,17,21H,4-5,10,12-16,18-19H2,1-3H3,(H,36,38)(H,40,42);6-10,15,20,36H,4-5,11-14,16-18H2,1-3H3,(H,35,38)(H,40,42);3*6-10,15,20H,4-5,11-14,16-18H2,1-3H3,(H,34,36)(H,38,41);1H.

What are the key properties of 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride?

2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride has a molecular weight of 3347.01 g/mol, XLogP of 27.76, 41 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;tris(12,12,20-trimethyl-2,2-dioxo-8-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(23),5(10),6,8,19,21-hexaen-4-one);hydrochloride is sourced from PubChem (CID 158504081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).