4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline

C23H16ClFN6 — CID 171527371

IUPAC4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline
SMILESCc1[nH]nc2ncc(-c3ccc4ncnc(N5CCc6cc(F)c(Cl)cc65)c4c3)cc12
InChIInChI=1S/C23H16ClFN6/c1-12-16-7-15(10-26-22(16)30-29-12)13-2-3-20-17(6-13)23(28-11-27-20)31-5-4-14-8-19(25)18(24)9-21(14)31/h2-3,6-11H,4-5H2,1H3,(H,26,29,30)
InChIKeyXHNPDLQXOYLLDK-UHFFFAOYSA-N
MW430.87 g/mol
LogP5.36
Rot. Bonds2

About 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline

4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline (PubChem CID 171527371) has the molecular formula C23H16ClFN6 and a molecular weight of 430.87 g/mol. Its IUPAC name is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline.

Molecular Properties

Compound Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline
PubChem CID171527371
Molecular FormulaC23H16ClFN6
Molecular Weight430.87 g/mol
Exact Mass430.11
IUPAC Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline
SMILESCc1[nH]nc2ncc(-c3ccc4ncnc(N5CCc6cc(F)c(Cl)cc65)c4c3)cc12
InChIInChI=1S/C23H16ClFN6/c1-12-16-7-15(10-26-22(16)30-29-12)13-2-3-20-17(6-13)23(28-11-27-20)31-5-4-14-8-19(25)18(24)9-21(14)31/h2-3,6-11H,4-5H2,1H3,(H,26,29,30)
InChIKeyXHNPDLQXOYLLDK-UHFFFAOYSA-N
XLogP5.36
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(2-methylpyrimidin-5-yl)quinazoline
CID 171527050
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 171527021
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol
CID 171527226
[2-amino-5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-pyridinyl]methanol
CID 171527216
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]pyridine-2-carbaldehyde
CID 171527023
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]quinazoline
CID 171527277
[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanol
CID 171527269
3-[[5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 171527373
4-(6-chloro-2,3-dihydroindol-1-yl)-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline
CID 171527251
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyanopyridine-3-carboxamide
CID 171527249
5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
CID 171527084
6-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-N-cyclopropylpyrazine-2-carboxamide
CID 171527099

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline?
The IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline (CID 171527371) is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline.
What is the SMILES notation for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline?
The canonical SMILES for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline is Cc1[nH]nc2ncc(-c3ccc4ncnc(N5CCc6cc(F)c(Cl)cc65)c4c3)cc12.
What is the InChIKey of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline?
The InChIKey is XHNPDLQXOYLLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6/c1-12-16-7-15(10-26-22(16)30-29-12)13-2-3-20-17(6-13)23(28-11-27-20)31-5-4-14-8-19(25)18(24)9-21(14)31/h2-3,6-11H,4-5H2,1H3,(H,26,29,30).
What are the key properties of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline?
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline has a molecular weight of 430.87 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline is sourced from PubChem (CID 171527371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).