2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine

C35H41N7 — CID 145245033

About 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine

2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine (PubChem CID 145245033) has the molecular formula C35H41N7 and a molecular weight of 559.76 g/mol. Its IUPAC name is 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine.

Molecular Properties

• Compound Name: 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
• PubChem CID: 145245033
• Molecular Formula: C35H41N7
• Molecular Weight: 559.76 g/mol
• Exact Mass: 559.34
• IUPAC Name: 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
• SMILES: C=C/C(=C\C(=C/C)c1ccc2[nH]nc(C(=C)NC3=C(C)C(c4ccc5c(c4)CCC5)NC=C3)c2n1)NC(=C)CN(C)C
• InChI: InChI=1S/C35H41N7/c1-8-25(20-29(9-2)37-22(3)21-42(6)7)31-15-16-32-35(39-31)34(41-40-32)24(5)38-30-17-18-36-33(23(30)4)28-14-13-26-11-10-12-27(26)19-28/h8-9,13-20,33,36-38H,2-3,5,10-12,21H2,1,4,6-7H3,(H,40,41)/b25-8+,29-20+
• InChIKey: PJMSPCIHIVLZPE-GDYFIMSVSA-N
• XLogP: 6.28
• TPSA: 80.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.76
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?

The IUPAC name of 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine (CID 145245033) is 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine.

What is the SMILES notation for 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?

The canonical SMILES for 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine is C=C/C(=C\C(=C/C)c1ccc2[nH]nc(C(=C)NC3=C(C)C(c4ccc5c(c4)CCC5)NC=C3)c2n1)NC(=C)CN(C)C.

What is the InChIKey of 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?

The InChIKey is PJMSPCIHIVLZPE-GDYFIMSVSA-N. The full InChI is InChI=1S/C35H41N7/c1-8-25(20-29(9-2)37-22(3)21-42(6)7)31-15-16-32-35(39-31)34(41-40-32)24(5)38-30-17-18-36-33(23(30)4)28-14-13-26-11-10-12-27(26)19-28/h8-9,13-20,33,36-38H,2-3,5,10-12,21H2,1,4,6-7H3,(H,40,41)/b25-8+,29-20+.

What are the key properties of 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?

2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine has a molecular weight of 559.76 g/mol, XLogP of 6.28, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(3E,5E)-5-[3-[1-[[2-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-dihydropyridin-4-yl]amino]ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-yl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine is sourced from PubChem (CID 145245033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).