ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole

C69H64F2N10 — CID 145252254

IUPACethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole
SMILESC=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)cc5)nccc4[nH]3)c2c1)CN1CCCC1.C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)cc5)nccc4[nH]3)c2c1)NC(=C)c1ccccc1.CC
InChIInChI=1S/C35H28FN5.C32H30FN5.C2H6/c1-4-23(19-28(5-2)38-22(3)24-9-7-6-8-10-24)26-13-16-32-29(20-26)35(41-40-32)33-21-30-31(39-33)17-18-37-34(30)25-11-14-27(36)15-12-25;1-3-21(20-38-15-5-6-16-38)17-22(4-2)24-9-12-29-26(18-24)32(37-36-29)30-19-27-28(35-30)13-14-34-31(27)23-7-10-25(33)11-8-23;1-2/h4-21,38-39H,2-3H2,1H3,(H,40,41);3-4,7-14,17-19,35H,1,5-6,15-16,20H2,2H3,(H,36,37);1-2H3/b23-4+,28-19+;21-17+,22-4+;
InChIKeyJPAQTLYGPKQZSX-UEYRGGBLSA-N
MW1071.34 g/mol
LogP17.20
Rot. Bonds15

About ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole

ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole (PubChem CID 145252254) has the molecular formula C69H64F2N10 and a molecular weight of 1071.34 g/mol. Its IUPAC name is ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole.

Molecular Properties

Compound Nameethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole
PubChem CID145252254
Molecular FormulaC69H64F2N10
Molecular Weight1071.34 g/mol
Exact Mass1070.53
IUPAC Nameethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole
SMILESC=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)cc5)nccc4[nH]3)c2c1)CN1CCCC1.C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)cc5)nccc4[nH]3)c2c1)NC(=C)c1ccccc1.CC
InChIInChI=1S/C35H28FN5.C32H30FN5.C2H6/c1-4-23(19-28(5-2)38-22(3)24-9-7-6-8-10-24)26-13-16-32-29(20-26)35(41-40-32)33-21-30-31(39-33)17-18-37-34(30)25-11-14-27(36)15-12-25;1-3-21(20-38-15-5-6-16-38)17-22(4-2)24-9-12-29-26(18-24)32(37-36-29)30-19-27-28(35-30)13-14-34-31(27)23-7-10-25(33)11-8-23;1-2/h4-21,38-39H,2-3H2,1H3,(H,40,41);3-4,7-14,17-19,35H,1,5-6,15-16,20H2,2H3,(H,36,37);1-2H3/b23-4+,28-19+;21-17+,22-4+;
InChIKeyJPAQTLYGPKQZSX-UEYRGGBLSA-N
XLogP17.20
TPSA129.99 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.34
LogP ≤ 517.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline
CID 156734142
5-(3-pyridinyl)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-Indazole
CID 137088071
5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole
CID 137116186
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
US10660877, Example 692
CID 139447345
US9981944, Example 117
CID 122478455
US10660877, Example 682
CID 134330069

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole?
The IUPAC name of ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole (CID 145252254) is ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole.
What is the SMILES notation for ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole?
The canonical SMILES for ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole is C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)cc5)nccc4[nH]3)c2c1)CN1CCCC1.C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccc(F)cc5)nccc4[nH]3)c2c1)NC(=C)c1ccccc1.CC.
What is the InChIKey of ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole?
The InChIKey is JPAQTLYGPKQZSX-UEYRGGBLSA-N. The full InChI is InChI=1S/C35H28FN5.C32H30FN5.C2H6/c1-4-23(19-28(5-2)38-22(3)24-9-7-6-8-10-24)26-13-16-32-29(20-26)35(41-40-32)33-21-30-31(39-33)17-18-37-34(30)25-11-14-27(36)15-12-25;1-3-21(20-38-15-5-6-16-38)17-22(4-2)24-9-12-29-26(18-24)32(37-36-29)30-19-27-28(35-30)13-14-34-31(27)23-7-10-25(33)11-8-23;1-2/h4-21,38-39H,2-3H2,1H3,(H,40,41);3-4,7-14,17-19,35H,1,5-6,15-16,20H2,2H3,(H,36,37);1-2H3/b23-4+,28-19+;21-17+,22-4+;.
What are the key properties of ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole?
ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole has a molecular weight of 1071.34 g/mol, XLogP of 17.20, 15 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5E)-5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)hepta-1,3,5-trien-3-amine;3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(2E,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazole is sourced from PubChem (CID 145252254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).