4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine

C27H28N6 — CID 151633639

IUPAC4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCCc1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3ccc(N4CCN(C)CC4)cc3)cc12
InChIInChI=1S/C27H28N6/c1-3-21-23-16-19(18-4-7-20(8-5-18)33-14-12-32(2)13-15-33)6-9-25(23)30-26(21)22-10-11-28-27-24(22)17-29-31-27/h4-11,16-17,30H,3,12-15H2,1-2H3,(H,28,29,31)
InChIKeyQRAUBDQSUOOPDI-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.09
Rot. Bonds4

About 4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine

4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 151633639) has the molecular formula C27H28N6 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
PubChem CID151633639
Molecular FormulaC27H28N6
Molecular Weight436.56 g/mol
Exact Mass436.24
IUPAC Name4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCCc1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3ccc(N4CCN(C)CC4)cc3)cc12
InChIInChI=1S/C27H28N6/c1-3-21-23-16-19(18-4-7-20(8-5-18)33-14-12-32(2)13-15-33)6-9-25(23)30-26(21)22-10-11-28-27-24(22)17-29-31-27/h4-11,16-17,30H,3,12-15H2,1-2H3,(H,28,29,31)
InChIKeyQRAUBDQSUOOPDI-UHFFFAOYSA-N
XLogP5.09
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594157
6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1-phenylbut-1-enyl)-9H-pyrido[2,3-b]indole
CID 123746411
2-[6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indol-4-yl]ethynyl-tri(propan-2-yl)-λ4-sulfane
CID 129303922
1-[6-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]pyrimidin-4-yl]piperidin-4-amine
CID 154640013
[2-hydroxy-5-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indol-4-yl]phenyl]-phenylmethanone
CID 90013976
4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 154639567
N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
CID 151897106
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 59860128
2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 142594342
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 10456191
3-bromo-2-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 146272522
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141081134

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine (CID 151633639) is 4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine is CCc1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3ccc(N4CCN(C)CC4)cc3)cc12.
What is the InChIKey of 4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is QRAUBDQSUOOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6/c1-3-21-23-16-19(18-4-7-20(8-5-18)33-14-12-32(2)13-15-33)6-9-25(23)30-26(21)22-10-11-28-27-24(22)17-29-31-27/h4-11,16-17,30H,3,12-15H2,1-2H3,(H,28,29,31).
What are the key properties of 4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 436.56 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 151633639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).