N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine

C102H110Cl10F5N25O6 — CID 158273314

About N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine

N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 158273314) has the molecular formula C102H110Cl10F5N25O6 and a molecular weight of 2231.69 g/mol. Its IUPAC name is N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine
• PubChem CID: 158273314
• Molecular Formula: C102H110Cl10F5N25O6
• Molecular Weight: 2231.69 g/mol
• Exact Mass: 2225.59
• IUPAC Name: N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cnn(C(C)(C)C(=O)N3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C)c2N)cnc1N)c1c(Cl)ccc(F)c1Cl.Cc1[nH]ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.Cc1c(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cnn1C(C)(C)CNCCCN(C)C.Cc1n[nH]c(C)c1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1
• InChI: InChI=1S/C26H35Cl2FN6O.C24H27Cl2FN6O2.C18H17Cl2FN4O.C17H16Cl2FN5O.C17H15Cl2FN4O/c1-16-19(14-33-35(16)26(3,4)15-31-10-7-11-34(5)6)18-12-22(25(30)32-13-18)36-17(2)23-20(27)8-9-21(29)24(23)28;1-14(20-17(25)4-5-18(27)21(20)26)35-19-10-15(11-30-22(19)28)16-12-31-33(13-16)24(2,3)23(34)32-8-6-29-7-9-32;1-8-15(9(2)25-24-8)11-6-14(18(22)23-7-11)26-10(3)16-12(19)4-5-13(21)17(16)20;1-8(14-11(18)3-4-12(20)15(14)19)26-13-5-9(6-23-16(13)21)10-7-24-25(2)17(10)22;1-8-11(7-23-24-8)10-5-14(17(21)22-6-10)25-9(2)15-12(18)3-4-13(20)16(15)19/h8-9,12-14,17,31H,7,10-11,15H2,1-6H3,(H2,30,32);4-5,10-14,29H,6-9H2,1-3H3,(H2,28,30);4-7,10H,1-3H3,(H2,22,23)(H,24,25);3-8H,22H2,1-2H3,(H2,21,23);3-7,9H,1-2H3,(H2,21,22)(H,23,24)
• InChIKey: GJHSRAAJNREABE-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 425.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.69
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?

The IUPAC name of N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine (CID 158273314) is N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine.

What is the SMILES notation for N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?

The canonical SMILES for N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine is CC(Oc1cc(-c2cnn(C(C)(C)C(=O)N3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C)c2N)cnc1N)c1c(Cl)ccc(F)c1Cl.Cc1[nH]ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.Cc1c(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cnn1C(C)(C)CNCCCN(C)C.Cc1n[nH]c(C)c1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.

What is the InChIKey of N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?

The InChIKey is GJHSRAAJNREABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl2FN6O.C24H27Cl2FN6O2.C18H17Cl2FN4O.C17H16Cl2FN5O.C17H15Cl2FN4O/c1-16-19(14-33-35(16)26(3,4)15-31-10-7-11-34(5)6)18-12-22(25(30)32-13-18)36-17(2)23-20(27)8-9-21(29)24(23)28;1-14(20-17(25)4-5-18(27)21(20)26)35-19-10-15(11-30-22(19)28)16-12-31-33(13-16)24(2,3)23(34)32-8-6-29-7-9-32;1-8-15(9(2)25-24-8)11-6-14(18(22)23-7-11)26-10(3)16-12(19)4-5-13(21)17(16)20;1-8(14-11(18)3-4-12(20)15(14)19)26-13-5-9(6-23-16(13)21)10-7-24-25(2)17(10)22;1-8-11(7-23-24-8)10-5-14(17(21)22-6-10)25-9(2)15-12(18)3-4-13(20)16(15)19/h8-9,12-14,17,31H,7,10-11,15H2,1-6H3,(H2,30,32);4-5,10-14,29H,6-9H2,1-3H3,(H2,28,30);4-7,10H,1-3H3,(H2,22,23)(H,24,25);3-8H,22H2,1-2H3,(H2,21,23);3-7,9H,1-2H3,(H2,21,22)(H,23,24).

What are the key properties of N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?

N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 2231.69 g/mol, XLogP of 24.42, 29 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-5-methylpyrazol-1-yl]-2-methylpropyl]-N',N'-dimethylpropane-1,3-diamine;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-2-methyl-1-piperazin-1-ylpropan-1-one;5-(5-amino-1-methylpyrazol-4-yl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 158273314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).