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

C26H29N5O3 — CID 162691599

IUPAC5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(-c2[nH]nc3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc(OC)c1OC
InChIInChI=1S/C26H29N5O3/c1-30-9-11-31(12-10-30)20-7-5-17(6-8-20)19-13-21-24(28-29-26(21)27-16-19)18-14-22(32-2)25(34-4)23(15-18)33-3/h5-8,13-16H,9-12H2,1-4H3,(H,27,28,29)
InChIKeyGCBCWSXGBNMKGI-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.07
Rot. Bonds6

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

5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 162691599) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID162691599
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(-c2[nH]nc3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc(OC)c1OC
InChIInChI=1S/C26H29N5O3/c1-30-9-11-31(12-10-30)20-7-5-17(6-8-20)19-13-21-24(28-29-26(21)27-16-19)18-14-22(32-2)25(34-4)23(15-18)33-3/h5-8,13-16H,9-12H2,1-4H3,(H,27,28,29)
InChIKeyGCBCWSXGBNMKGI-UHFFFAOYSA-N
XLogP4.07
TPSA75.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 162691626
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 162691598
2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]-1,3,4-oxadiazole
CID 162691607
N,N-dimethyl-1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanamine
CID 145492462
5-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline
CID 155516484
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590
5-chloro-2-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline
CID 155537673
1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
CID 22485481
3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 121241441
2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol
CID 59836112
3-iodo-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 138754280
2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine
CID 130188351

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (CID 162691599) is 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is COc1cc(-c2[nH]nc3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc(OC)c1OC.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is GCBCWSXGBNMKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-30-9-11-31(12-10-30)20-7-5-17(6-8-20)19-13-21-24(28-29-26(21)27-16-19)18-14-22(32-2)25(34-4)23(15-18)33-3/h5-8,13-16H,9-12H2,1-4H3,(H,27,28,29).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 459.55 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162691599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).