N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine

C58H55N15S2 — CID 145245126

About N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine

N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine (PubChem CID 145245126) has the molecular formula C58H55N15S2 and a molecular weight of 1026.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
• PubChem CID: 145245126
• Molecular Formula: C58H55N15S2
• Molecular Weight: 1026.32 g/mol
• Exact Mass: 1025.42
• IUPAC Name: N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
• SMILES: C/C(=C\SC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN(C)C)c5)nc34)nc12.C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)nccc4[nH]3)c2n1)NC(=C)Cc1ccccc1
• InChI: InChI=1S/C32H27N7S.C26H28N8S/c1-4-22(18-24(5-2)34-20(3)17-21-9-7-6-8-10-21)25-11-12-27-30(35-25)31(39-38-27)32-36-26-13-15-33-28(29(26)37-32)23-14-16-40-19-23;1-15(2)35-14-16(3)22-23-20(8-9-28-22)30-26(31-23)25-24-21(32-33-25)7-6-19(29-24)18-10-17(11-27-12-18)13-34(4)5/h4-16,18-19,34H,2-3,17H2,1H3,(H,36,37)(H,38,39);6-12,14-15H,13H2,1-5H3,(H,30,31)(H,32,33)/b22-4+,24-18+;16-14+
• InChIKey: QKGCFVCYFHPDQA-PDTCQSBOSA-N
• XLogP: 12.97
• TPSA: 194.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1026.32
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine?

The IUPAC name of N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine (CID 145245126) is N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine.

What is the SMILES notation for N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine?

The canonical SMILES for N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine is C/C(=C\SC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN(C)C)c5)nc34)nc12.C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)nccc4[nH]3)c2n1)NC(=C)Cc1ccccc1.

What is the InChIKey of N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine?

The InChIKey is QKGCFVCYFHPDQA-PDTCQSBOSA-N. The full InChI is InChI=1S/C32H27N7S.C26H28N8S/c1-4-22(18-24(5-2)34-20(3)17-21-9-7-6-8-10-21)25-11-12-27-30(35-25)31(39-38-27)32-36-26-13-15-33-28(29(26)37-32)23-14-16-40-19-23;1-15(2)35-14-16(3)22-23-20(8-9-28-22)30-26(31-23)25-24-21(32-33-25)7-6-19(29-24)18-10-17(11-27-12-18)13-34(4)5/h4-16,18-19,34H,2-3,17H2,1H3,(H,36,37)(H,38,39);6-12,14-15H,13H2,1-5H3,(H,30,31)(H,32,33)/b22-4+,24-18+;16-14+.

What are the key properties of N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine?

N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine has a molecular weight of 1026.32 g/mol, XLogP of 12.97, 16 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;(3E,5E)-N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 145245126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).