N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine

C75H60ClF2N9 — CID 87096335

IUPACN-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
SMILESFc1ccc(-c2cccn3c(-c4ccccc4)c(-c4ccc(C5(N(NC6(c7ccc(-c8nc9cc(F)ccn9c8-c8ccccc8)cc7)CCC6)NC6(c7ccc(-c8nc9cc(Cl)ccn9c8-c8ccccc8)cc7)CCC6)CCC5)cc4)nc23)cc1
InChIInChI=1S/C75H60ClF2N9/c76-60-37-46-84-64(48-60)79-66(69(84)54-14-4-1-5-15-54)51-21-29-57(30-22-51)73(39-11-40-73)82-87(83-74(41-12-42-74)58-31-23-52(24-32-58)67-70(55-16-6-2-7-17-55)85-47-38-62(78)49-65(85)80-67)75(43-13-44-75)59-33-25-53(26-34-59)68-71(56-18-8-3-9-19-56)86-45-10-20-63(72(86)81-68)50-27-35-61(77)36-28-50/h1-10,14-38,45-49,82-83H,11-13,39-44H2
InChIKeySMPVCUWOHURKLB-UHFFFAOYSA-N
MW1160.82 g/mol
LogP18.08
Rot. Bonds15

About N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine

N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine (PubChem CID 87096335) has the molecular formula C75H60ClF2N9 and a molecular weight of 1160.82 g/mol. Its IUPAC name is N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
PubChem CID87096335
Molecular FormulaC75H60ClF2N9
Molecular Weight1160.82 g/mol
Exact Mass1159.46
IUPAC NameN-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
SMILESFc1ccc(-c2cccn3c(-c4ccccc4)c(-c4ccc(C5(N(NC6(c7ccc(-c8nc9cc(F)ccn9c8-c8ccccc8)cc7)CCC6)NC6(c7ccc(-c8nc9cc(Cl)ccn9c8-c8ccccc8)cc7)CCC6)CCC5)cc4)nc23)cc1
InChIInChI=1S/C75H60ClF2N9/c76-60-37-46-84-64(48-60)79-66(69(84)54-14-4-1-5-15-54)51-21-29-57(30-22-51)73(39-11-40-73)82-87(83-74(41-12-42-74)58-31-23-52(24-32-58)67-70(55-16-6-2-7-17-55)85-47-38-62(78)49-65(85)80-67)75(43-13-44-75)59-33-25-53(26-34-59)68-71(56-18-8-3-9-19-56)86-45-10-20-63(72(86)81-68)50-27-35-61(77)36-28-50/h1-10,14-38,45-49,82-83H,11-13,39-44H2
InChIKeySMPVCUWOHURKLB-UHFFFAOYSA-N
XLogP18.08
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.82
LogP ≤ 518.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine (CID 87096335) is N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine is Fc1ccc(-c2cccn3c(-c4ccccc4)c(-c4ccc(C5(N(NC6(c7ccc(-c8nc9cc(F)ccn9c8-c8ccccc8)cc7)CCC6)NC6(c7ccc(-c8nc9cc(Cl)ccn9c8-c8ccccc8)cc7)CCC6)CCC5)cc4)nc23)cc1.
What is the InChIKey of N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The InChIKey is SMPVCUWOHURKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H60ClF2N9/c76-60-37-46-84-64(48-60)79-66(69(84)54-14-4-1-5-15-54)51-21-29-57(30-22-51)73(39-11-40-73)82-87(83-74(41-12-42-74)58-31-23-52(24-32-58)67-70(55-16-6-2-7-17-55)85-47-38-62(78)49-65(85)80-67)75(43-13-44-75)59-33-25-53(26-34-59)68-71(56-18-8-3-9-19-56)86-45-10-20-63(72(86)81-68)50-27-35-61(77)36-28-50/h1-10,14-38,45-49,82-83H,11-13,39-44H2.
What are the key properties of N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine has a molecular weight of 1160.82 g/mol, XLogP of 18.08, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(7-chloro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-N-[[1-[4-(7-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]amino]-1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 87096335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).