5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

C20H17BrClN5O — CID 10027202

IUPAC5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Nc3ncc(Br)c(NCCc4cccc(Cl)c4)n3)ccc2N1
InChIInChI=1S/C20H17BrClN5O/c21-16-11-24-20(25-15-4-5-17-13(9-15)10-18(28)26-17)27-19(16)23-7-6-12-2-1-3-14(22)8-12/h1-5,8-9,11H,6-7,10H2,(H,26,28)(H2,23,24,25,27)
InChIKeyCHVSPTLMYXYQEQ-UHFFFAOYSA-N
MW458.75 g/mol
LogP4.79
Rot. Bonds6

About 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 10027202) has the molecular formula C20H17BrClN5O and a molecular weight of 458.75 g/mol. Its IUPAC name is 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID10027202
Molecular FormulaC20H17BrClN5O
Molecular Weight458.75 g/mol
Exact Mass457.03
IUPAC Name5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Nc3ncc(Br)c(NCCc4cccc(Cl)c4)n3)ccc2N1
InChIInChI=1S/C20H17BrClN5O/c21-16-11-24-20(25-15-4-5-17-13(9-15)10-18(28)26-17)27-19(16)23-7-6-12-2-1-3-14(22)8-12/h1-5,8-9,11H,6-7,10H2,(H,26,28)(H2,23,24,25,27)
InChIKeyCHVSPTLMYXYQEQ-UHFFFAOYSA-N
XLogP4.79
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.75
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

Bcl6-IN-7
CID 137348674
5-(4-(Benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)indolin-2-one
CID 11502189
5-(5-Chloro-4-(pyridin-2-ylmethylamino)pyrimidin-2-ylamino)indolin-2-one
CID 44562906
5-(5-Bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-ylamino)indolin-2-one
CID 44562948
5-[(5-Chloropyrimidin-4-yl)amino]-1,3-dihydroindol-2-one
CID 133516862
5-[[4-(Pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 10318783
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;hydrochloride
CID 45265983
3-[[[5-Chloro-4-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrimidin-2-yl]amino]methyl]benzenesulfonyl fluoride
CID 156015453
5-(5-Methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-ylamino)indolin-2-one
CID 44562905
US10266549, Example 240
CID 21952454
N-[3-[[5-fluoro-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 59174356
5-[[6-chloro-4-[2-(1H-indol-3-yl)ethylamino]quinazolin-2-yl]amino]-1,3-dihydroindol-2-one
CID 137660199

Frequently Asked Questions

What is the IUPAC name of 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (CID 10027202) is 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is O=C1Cc2cc(Nc3ncc(Br)c(NCCc4cccc(Cl)c4)n3)ccc2N1.
What is the InChIKey of 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is CHVSPTLMYXYQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClN5O/c21-16-11-24-20(25-15-4-5-17-13(9-15)10-18(28)26-17)27-19(16)23-7-6-12-2-1-3-14(22)8-12/h1-5,8-9,11H,6-7,10H2,(H,26,28)(H2,23,24,25,27).
What are the key properties of 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 458.75 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-bromo-4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10027202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).