N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine

C93H102ClF8N35O5 — CID 158963105

About N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine

N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine (PubChem CID 158963105) has the molecular formula C93H102ClF8N35O5 and a molecular weight of 1977.52 g/mol. Its IUPAC name is N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine
• PubChem CID: 158963105
• Molecular Formula: C93H102ClF8N35O5
• Molecular Weight: 1977.52 g/mol
• Exact Mass: 1975.84
• IUPAC Name: N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine
• SMILES: CC(=O)Nc1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)ccn1.CC(C)Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)cn1.CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)cn1.CN(C)CCCOc1ccc(-n2nnnc2-c2cc(-c3ccnc(Cl)c3)cnc2N)c(F)c1F
• InChI: InChI=1S/C24H25F2N9O2.C24H29F2N9O.C23H27F2N9O.C22H21ClF2N8O/c1-14(36)30-20-12-15(7-8-28-20)16-11-17(23(27)29-13-16)24-31-32-33-35(24)18-5-6-19(22(26)21(18)25)37-10-4-9-34(2)3;1-15(2)13-34-14-17(12-29-34)16-10-18(23(27)28-11-16)24-30-31-32-35(24)19-6-7-20(22(26)21(19)25)36-9-5-8-33(3)4;1-4-8-33-14-16(13-28-33)15-11-17(22(26)27-12-15)23-29-30-31-34(23)18-6-7-19(21(25)20(18)24)35-10-5-9-32(2)3;1-32(2)8-3-9-34-17-5-4-16(19(24)20(17)25)33-22(29-30-31-33)15-10-14(12-28-21(15)26)13-6-7-27-18(23)11-13/h5-8,11-13H,4,9-10H2,1-3H3,(H2,27,29)(H,28,30,36);6-7,10-12,14-15H,5,8-9,13H2,1-4H3,(H2,27,28);6-7,11-14H,4-5,8-10H2,1-3H3,(H2,26,27);4-7,10-12H,3,8-9H2,1-2H3,(H2,26,28)
• InChIKey: JMWFQUFSUSCYPE-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 470.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 37
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1977.52
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

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 N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine?

The IUPAC name of N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine (CID 158963105) is N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine.

What is the SMILES notation for N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine?

The canonical SMILES for N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine is CC(=O)Nc1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)ccn1.CC(C)Cn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)cn1.CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)cn1.CN(C)CCCOc1ccc(-n2nnnc2-c2cc(-c3ccnc(Cl)c3)cnc2N)c(F)c1F.

What is the InChIKey of N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine?

The InChIKey is JMWFQUFSUSCYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N9O2.C24H29F2N9O.C23H27F2N9O.C22H21ClF2N8O/c1-14(36)30-20-12-15(7-8-28-20)16-11-17(23(27)29-13-16)24-31-32-33-35(24)18-5-6-19(22(26)21(18)25)37-10-4-9-34(2)3;1-15(2)13-34-14-17(12-29-34)16-10-18(23(27)28-11-16)24-30-31-32-35(24)19-6-7-20(22(26)21(19)25)36-9-5-8-33(3)4;1-4-8-33-14-16(13-28-33)15-11-17(22(26)27-12-15)23-29-30-31-34(23)18-6-7-19(21(25)20(18)24)35-10-5-9-32(2)3;1-32(2)8-3-9-34-17-5-4-16(19(24)20(17)25)33-22(29-30-31-33)15-10-14(12-28-21(15)26)13-6-7-27-18(23)11-13/h5-8,11-13H,4,9-10H2,1-3H3,(H2,27,29)(H,28,30,36);6-7,10-12,14-15H,5,8-9,13H2,1-4H3,(H2,27,28);6-7,11-14H,4-5,8-10H2,1-3H3,(H2,26,27);4-7,10-12H,3,8-9H2,1-2H3,(H2,26,28).

What are the key properties of N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine?

N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 1977.52 g/mol, XLogP of 13.19, 37 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-amino-5-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-3-pyridinyl]-2-pyridinyl]acetamide;5-(2-chloro-4-pyridinyl)-3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 158963105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).