N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine

C₁₀₇H₉₀F₇N₄₁O₄S₂ — CID 158941466

About N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine (PubChem CID 158941466) has the molecular formula C₁₀₇H₉₀F₇N₄₁O₄S₂ and a molecular weight of 2211.30 g/mol. Its IUPAC name is N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine.

Molecular Properties

• Compound Name: N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine
• PubChem CID: 158941466
• Molecular Formula: C₁₀₇H₉₀F₇N₄₁O₄S₂
• Molecular Weight: 2211.30 g/mol
• Exact Mass: 2209.74
• IUPAC Name: N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine
• SMILES: COc1cnc2c(NCc3nnc4ccc(-c5csc(N6CCOCC6)n5)nn34)ccnc2c1.Cc1cc(-c2ccc3nnc(CNc4ccnc5nc[nH]c45)n3n2)sn1.Fc1cc(-c2ccc3nnc(CNc4ccnc5c4N=CC5)n3n2)cc(F)c1F.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OC[C@@H]6CCCN6)cnc45)n3n2)c1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OC[C@H]6CCCN6)cnc45)n3n2)c1
• InChI: InChI=1S/2C25H22F2N8O.C22H21N9O2S.C19H12F3N7.C16H13N9S/c2*26-16-8-15(9-17(27)10-16)20-3-4-23-32-33-24(35(23)34-20)13-30-21-5-7-29-22-11-19(12-31-25(21)22)36-14-18-2-1-6-28-18;1-32-14-10-17-21(25-11-14)16(4-5-23-17)24-12-20-28-27-19-3-2-15(29-31(19)20)18-13-34-22(26-18)30-6-8-33-9-7-30;20-11-7-10(8-12(21)18(11)22)13-1-2-16-26-27-17(29(16)28-13)9-25-15-3-5-23-14-4-6-24-19(14)15;1-9-6-12(26-24-9)10-2-3-13-21-22-14(25(13)23-10)7-18-11-4-5-17-16-15(11)19-8-20-16/h2*3-5,7-12,18,28H,1-2,6,13-14H2,(H,29,30);2-5,10-11,13H,6-9,12H2,1H3,(H,23,24);1-3,5-8H,4,9H2,(H,23,25);2-6,8H,7H2,1H3,(H2,17,18,19,20)/t2*18-;;;/m10.../s1
• InChIKey: JKHMKOHAFXCJPS-LDQRTPSOSA-N
• XLogP: 16.07
• TPSA: 509.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 28
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2211.30
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine?

The IUPAC name of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine (CID 158941466) is N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine.

What is the SMILES notation for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine?

The canonical SMILES for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine is COc1cnc2c(NCc3nnc4ccc(-c5csc(N6CCOCC6)n5)nn34)ccnc2c1.Cc1cc(-c2ccc3nnc(CNc4ccnc5nc[nH]c45)n3n2)sn1.Fc1cc(-c2ccc3nnc(CNc4ccnc5c4N=CC5)n3n2)cc(F)c1F.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OC[C@@H]6CCCN6)cnc45)n3n2)c1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OC[C@H]6CCCN6)cnc45)n3n2)c1.

What is the InChIKey of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine?

The InChIKey is JKHMKOHAFXCJPS-LDQRTPSOSA-N. The full InChI is InChI=1S/2C25H22F2N8O.C22H21N9O2S.C19H12F3N7.C16H13N9S/c2*26-16-8-15(9-17(27)10-16)20-3-4-23-32-33-24(35(23)34-20)13-30-21-5-7-29-22-11-19(12-31-25(21)22)36-14-18-2-1-6-28-18;1-32-14-10-17-21(25-11-14)16(4-5-23-17)24-12-20-28-27-19-3-2-15(29-31(19)20)18-13-34-22(26-18)30-6-8-33-9-7-30;20-11-7-10(8-12(21)18(11)22)13-1-2-16-26-27-17(29(16)28-13)9-25-15-3-5-23-14-4-6-24-19(14)15;1-9-6-12(26-24-9)10-2-3-13-21-22-14(25(13)23-10)7-18-11-4-5-17-16-15(11)19-8-20-16/h2*3-5,7-12,18,28H,1-2,6,13-14H2,(H,29,30);2-5,10-11,13H,6-9,12H2,1H3,(H,23,24);1-3,5-8H,4,9H2,(H,23,25);2-6,8H,7H2,1H3,(H2,17,18,19,20)/t2*18-;;;/m10.../s1.

What are the key properties of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine?

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine has a molecular weight of 2211.30 g/mol, XLogP of 16.07, 28 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 158941466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158941466 — identifiers, structure, computed properties (public domain)

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