N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C61H44F2N12S2 — CID 145252054

About N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145252054) has the molecular formula C61H44F2N12S2 and a molecular weight of 1047.24 g/mol. Its IUPAC name is N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145252054
• Molecular Formula: C61H44F2N12S2
• Molecular Weight: 1047.24 g/mol
• Exact Mass: 1046.32
• IUPAC Name: N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• SMILES: Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5c(-c6cc(-c7nccc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(CN%12CCCC%12)c%11)cc9%10)cc78)sc6F)cc(-c6cncc(NC(=C7CC7)c7ccccc7)c6)cc45)cc23)s1
• InChI: InChI=1S/C61H44F2N12S2/c62-54-13-12-52(76-54)59-44-25-51(70-47(44)14-16-66-59)58-46-24-37(39-21-40(31-65-30-39)68-55(35-8-9-35)34-6-2-1-3-7-34)23-41(56(46)72-74-58)42-27-53(77-61(42)63)60-45-26-50(69-48(45)15-17-67-60)57-43-22-36(10-11-49(43)71-73-57)38-20-33(28-64-29-38)32-75-18-4-5-19-75/h1-3,6-7,10-17,20-31,68-70H,4-5,8-9,18-19,32H2,(H,71,73)(H,72,74)
• InChIKey: CDEYVUUYDVCWOE-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 155.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.24
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 145252054) is N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

What is the SMILES notation for N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The canonical SMILES for N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5c(-c6cc(-c7nccc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(CN%12CCCC%12)c%11)cc9%10)cc78)sc6F)cc(-c6cncc(NC(=C7CC7)c7ccccc7)c6)cc45)cc23)s1.

What is the InChIKey of N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

The InChIKey is CDEYVUUYDVCWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44F2N12S2/c62-54-13-12-52(76-54)59-44-25-51(70-47(44)14-16-66-59)58-46-24-37(39-21-40(31-65-30-39)68-55(35-8-9-35)34-6-2-1-3-7-34)23-41(56(46)72-74-58)42-27-53(77-61(42)63)60-45-26-50(69-48(45)15-17-67-60)57-43-22-36(10-11-49(43)71-73-57)38-20-33(28-64-29-38)32-75-18-4-5-19-75/h1-3,6-7,10-17,20-31,68-70H,4-5,8-9,18-19,32H2,(H,71,73)(H,72,74).

What are the key properties of N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?

N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 1047.24 g/mol, XLogP of 15.26, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[cyclopropylidene(phenyl)methyl]-5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145252054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).