N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine

C58H40F2N6S — CID 122659564

IUPACN-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine
SMILESFc1cc(N(c2cccnc2)c2ccc(-c3ccccc3)n2-c2ccccc2)ccc1-c1ccc(-c2ccc(N(c3cccnc3)c3ccc(-c4ccccc4)n3-c3ccccc3)cc2F)s1
InChIInChI=1S/C58H40F2N6S/c59-51-37-45(63(47-23-13-35-61-39-47)57-33-29-53(41-15-5-1-6-16-41)65(57)43-19-9-3-10-20-43)25-27-49(51)55-31-32-56(67-55)50-28-26-46(38-52(50)60)64(48-24-14-36-62-40-48)58-34-30-54(42-17-7-2-8-18-42)66(58)44-21-11-4-12-22-44/h1-40H
InChIKeyPBONWTKXTDMCSJ-UHFFFAOYSA-N
MW891.06 g/mol
LogP16.01
Rot. Bonds12

About N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine

N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine (PubChem CID 122659564) has the molecular formula C58H40F2N6S and a molecular weight of 891.06 g/mol. Its IUPAC name is N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine
PubChem CID122659564
Molecular FormulaC58H40F2N6S
Molecular Weight891.06 g/mol
Exact Mass890.30
IUPAC NameN-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine
SMILESFc1cc(N(c2cccnc2)c2ccc(-c3ccccc3)n2-c2ccccc2)ccc1-c1ccc(-c2ccc(N(c3cccnc3)c3ccc(-c4ccccc4)n3-c3ccccc3)cc2F)s1
InChIInChI=1S/C58H40F2N6S/c59-51-37-45(63(47-23-13-35-61-39-47)57-33-29-53(41-15-5-1-6-16-41)65(57)43-19-9-3-10-20-43)25-27-49(51)55-31-32-56(67-55)50-28-26-46(38-52(50)60)64(48-24-14-36-62-40-48)58-34-30-54(42-17-7-2-8-18-42)66(58)44-21-11-4-12-22-44/h1-40H
InChIKeyPBONWTKXTDMCSJ-UHFFFAOYSA-N
XLogP16.01
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.06
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine?
The IUPAC name of N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine (CID 122659564) is N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine.
What is the SMILES notation for N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine?
The canonical SMILES for N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine is Fc1cc(N(c2cccnc2)c2ccc(-c3ccccc3)n2-c2ccccc2)ccc1-c1ccc(-c2ccc(N(c3cccnc3)c3ccc(-c4ccccc4)n3-c3ccccc3)cc2F)s1.
What is the InChIKey of N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine?
The InChIKey is PBONWTKXTDMCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40F2N6S/c59-51-37-45(63(47-23-13-35-61-39-47)57-33-29-53(41-15-5-1-6-16-41)65(57)43-19-9-3-10-20-43)25-27-49(51)55-31-32-56(67-55)50-28-26-46(38-52(50)60)64(48-24-14-36-62-40-48)58-34-30-54(42-17-7-2-8-18-42)66(58)44-21-11-4-12-22-44/h1-40H.
What are the key properties of N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine?
N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine has a molecular weight of 891.06 g/mol, XLogP of 16.01, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-diphenylpyrrol-2-yl)-N-[4-[5-[4-[(1,5-diphenylpyrrol-2-yl)-pyridin-3-ylamino]-2-fluorophenyl]thiophen-2-yl]-3-fluorophenyl]pyridin-3-amine is sourced from PubChem (CID 122659564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).