(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

C63H59N11S2 — CID 145250126

IUPAC(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
SMILESC/C(=C\SC(C)C)c1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)cc12.C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccsc5)cccc4[nH]3)c2n1)NC(=C)c1ccccc1
InChIInChI=1S/C33H27N5S.C30H32N6S/c1-4-22(18-25(5-2)34-21(3)23-10-7-6-8-11-23)28-14-15-30-32(36-28)33(38-37-30)31-19-27-26(24-16-17-39-20-24)12-9-13-29(27)35-31;1-19(2)37-18-20(3)23-7-6-8-26-24(23)14-28(32-26)30-29-27(34-35-30)10-9-25(33-29)22-13-21(15-31-16-22)17-36-11-4-5-12-36/h4-20,34-35H,2-3H2,1H3,(H,37,38);6-10,13-16,18-19,32H,4-5,11-12,17H2,1-3H3,(H,34,35)/b22-4+,25-18+;20-18+
InChIKeyHOUNABJATHKELX-JFBZVCKASA-N
MW1034.38 g/mol
LogP15.83
Rot. Bonds15

About (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145250126) has the molecular formula C63H59N11S2 and a molecular weight of 1034.38 g/mol. Its IUPAC name is (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID145250126
Molecular FormulaC63H59N11S2
Molecular Weight1034.38 g/mol
Exact Mass1033.44
IUPAC Name(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
SMILESC/C(=C\SC(C)C)c1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)cc12.C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccsc5)cccc4[nH]3)c2n1)NC(=C)c1ccccc1
InChIInChI=1S/C33H27N5S.C30H32N6S/c1-4-22(18-25(5-2)34-21(3)23-10-7-6-8-11-23)28-14-15-30-32(36-28)33(38-37-30)31-19-27-26(24-16-17-39-20-24)12-9-13-29(27)35-31;1-19(2)37-18-20(3)23-7-6-8-26-24(23)14-28(32-26)30-29-27(34-35-30)10-9-25(33-29)22-13-21(15-31-16-22)17-36-11-4-5-12-36/h4-20,34-35H,2-3H2,1H3,(H,37,38);6-10,13-16,18-19,32H,4-5,11-12,17H2,1-3H3,(H,34,35)/b22-4+,25-18+;20-18+
InChIKeyHOUNABJATHKELX-JFBZVCKASA-N
XLogP15.83
TPSA142.88 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.38
LogP ≤ 515.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine with MolForge

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Related Compounds

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033963
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137116466
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 137033366
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-6-methyl-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole
CID 137033730
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034165
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034174
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
CID 137038002
N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137038063
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137038282
N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137039084
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137039281
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039294

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 145250126) is (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is C/C(=C\SC(C)C)c1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)cc12.C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccsc5)cccc4[nH]3)c2n1)NC(=C)c1ccccc1.
What is the InChIKey of (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is HOUNABJATHKELX-JFBZVCKASA-N. The full InChI is InChI=1S/C33H27N5S.C30H32N6S/c1-4-22(18-25(5-2)34-21(3)23-10-7-6-8-11-23)28-14-15-30-32(36-28)33(38-37-30)31-19-27-26(24-16-17-39-20-24)12-9-13-29(27)35-31;1-19(2)37-18-20(3)23-7-6-8-26-24(23)14-28(32-26)30-29-27(34-35-30)10-9-25(33-29)22-13-21(15-31-16-22)17-36-11-4-5-12-36/h4-20,34-35H,2-3H2,1H3,(H,37,38);6-10,13-16,18-19,32H,4-5,11-12,17H2,1-3H3,(H,34,35)/b22-4+,25-18+;20-18+.
What are the key properties of (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 1034.38 g/mol, XLogP of 15.83, 15 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145250126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).