1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea

C47H34ClF5N10O2 — CID 159446125

IUPAC1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12.O=C(Nc1cc(Cl)ccc1F)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12
InChIInChI=1S/C24H17F4N5O.C23H17ClFN5O/c25-18-5-4-15(24(26,27)28)12-20(18)32-23(34)31-19-2-1-3-21-17(19)8-11-33(21)13-14-6-9-29-22-16(14)7-10-30-22;24-15-4-5-18(25)20(12-15)29-23(31)28-19-2-1-3-21-17(19)8-11-30(21)13-14-6-9-26-22-16(14)7-10-27-22/h1-12H,13H2,(H,29,30)(H2,31,32,34);1-12H,13H2,(H,26,27)(H2,28,29,31)
InChIKeyLSUBPMUMBOMZMP-UHFFFAOYSA-N
MW901.30 g/mol
LogP12.37
Rot. Bonds8

About 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea

1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea (PubChem CID 159446125) has the molecular formula C47H34ClF5N10O2 and a molecular weight of 901.30 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea
PubChem CID159446125
Molecular FormulaC47H34ClF5N10O2
Molecular Weight901.30 g/mol
Exact Mass900.25
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12.O=C(Nc1cc(Cl)ccc1F)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12
InChIInChI=1S/C24H17F4N5O.C23H17ClFN5O/c25-18-5-4-15(24(26,27)28)12-20(18)32-23(34)31-19-2-1-3-21-17(19)8-11-33(21)13-14-6-9-29-22-16(14)7-10-30-22;24-15-4-5-18(25)20(12-15)29-23(31)28-19-2-1-3-21-17(19)8-11-30(21)13-14-6-9-26-22-16(14)7-10-27-22/h1-12H,13H2,(H,29,30)(H2,31,32,34);1-12H,13H2,(H,26,27)(H2,28,29,31)
InChIKeyLSUBPMUMBOMZMP-UHFFFAOYSA-N
XLogP12.37
TPSA149.48 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.30
LogP ≤ 512.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea with MolForge

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea
CID 50995493
1-(4-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea
CID 50995494
1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea
CID 50995671
1-(2-chloro-6-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea
CID 50996737
1-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 50996914
1-(2-fluoro-5-methylphenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea
CID 50996917
1-[5-methyl-2-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea
CID 50997087
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea
CID 50997091
1-[1-[dideuterio(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indol-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 56928459
1-[1-[dideuterio(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 56928460
1-[1-[dideuterio(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indol-4-yl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 56928675
1-[1-[dideuterio(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indol-4-yl]-3-[5-methyl-2-(trifluoromethyl)phenyl]urea
CID 56928677

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea (CID 159446125) is 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea is O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12.O=C(Nc1cc(Cl)ccc1F)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea?
The InChIKey is LSUBPMUMBOMZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N5O.C23H17ClFN5O/c25-18-5-4-15(24(26,27)28)12-20(18)32-23(34)31-19-2-1-3-21-17(19)8-11-33(21)13-14-6-9-29-22-16(14)7-10-30-22;24-15-4-5-18(25)20(12-15)29-23(31)28-19-2-1-3-21-17(19)8-11-30(21)13-14-6-9-26-22-16(14)7-10-27-22/h1-12H,13H2,(H,29,30)(H2,31,32,34);1-12H,13H2,(H,26,27)(H2,28,29,31).
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea?
1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea has a molecular weight of 901.30 g/mol, XLogP of 12.37, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea is sourced from PubChem (CID 159446125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).