1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine

C73H80F2N14 — CID 145247673

About 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine

1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145247673) has the molecular formula C73H80F2N14 and a molecular weight of 1191.54 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145247673
• Molecular Formula: C73H80F2N14
• Molecular Weight: 1191.54 g/mol
• Exact Mass: 1190.67
• IUPAC Name: 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine
• SMILES: C=C(/C=C\C=C/C)c1cc2c(-c3cc4c(-c5cc(F)cc(CCCN6CCCC6)c5)nccc4[nH]3)n[nH]c2cn1.CC.Fc1cc(CCCN2CCCC2)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CNCC7CCCC7)c6)cc45)cc23)c1
• InChI: InChI=1S/C38H41FN8.C33H33FN6.C2H6/c39-30-16-26(8-5-13-47-11-3-4-12-47)14-28(17-30)37-31-19-35(44-33(31)9-10-42-37)38-32-18-34(43-24-36(32)45-46-38)29-15-27(22-41-23-29)21-40-20-25-6-1-2-7-25;1-3-4-5-9-22(2)29-19-27-31(21-36-29)38-39-33(27)30-20-26-28(37-30)11-12-35-32(26)24-16-23(17-25(34)18-24)10-8-15-40-13-6-7-14-40;1-2/h9-10,14-19,22-25,40,44H,1-8,11-13,20-21H2,(H,45,46);3-5,9,11-12,16-21,37H,2,6-8,10,13-15H2,1H3,(H,38,39);1-2H3/b;4-3-,9-5-
• InChIKey: PPFZPMYNTLIRKX-VUSCGTNCSA-N
• XLogP: 16.18
• TPSA: 171.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1191.54
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine (CID 145247673) is 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine is C=C(/C=C\C=C/C)c1cc2c(-c3cc4c(-c5cc(F)cc(CCCN6CCCC6)c5)nccc4[nH]3)n[nH]c2cn1.CC.Fc1cc(CCCN2CCCC2)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CNCC7CCCC7)c6)cc45)cc23)c1.

What is the InChIKey of 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is PPFZPMYNTLIRKX-VUSCGTNCSA-N. The full InChI is InChI=1S/C38H41FN8.C33H33FN6.C2H6/c39-30-16-26(8-5-13-47-11-3-4-12-47)14-28(17-30)37-31-19-35(44-33(31)9-10-42-37)38-32-18-34(43-24-36(32)45-46-38)29-15-27(22-41-23-29)21-40-20-25-6-1-2-7-25;1-3-4-5-9-22(2)29-19-27-31(21-36-29)38-39-33(27)30-20-26-28(37-30)11-12-35-32(26)24-16-23(17-25(34)18-24)10-8-15-40-13-6-7-14-40;1-2/h9-10,14-19,22-25,40,44H,1-8,11-13,20-21H2,(H,45,46);3-5,9,11-12,16-21,37H,2,6-8,10,13-15H2,1H3,(H,38,39);1-2H3/b;4-3-,9-5-;.

What are the key properties of 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine?

1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 1191.54 g/mol, XLogP of 16.18, 20 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[[5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145247673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).