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

C24H29N7 — CID 137040064

IUPAC3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCN1CCN(c2cccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)CC1
InChIInChI=1S/C24H29N7/c1-30-9-11-31(12-10-30)22-4-2-3-20-18(22)14-21(27-20)23-19-13-17(15-26-24(19)29-28-23)16-5-7-25-8-6-16/h2-4,13-16,25,27H,5-12H2,1H3,(H,26,28,29)
InChIKeyWAUOIGLTXKVKNT-UHFFFAOYSA-N
MW415.55 g/mol
LogP3.33
Rot. Bonds3

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

3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137040064) has the molecular formula C24H29N7 and a molecular weight of 415.55 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID137040064
Molecular FormulaC24H29N7
Molecular Weight415.55 g/mol
Exact Mass415.25
IUPAC Name3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCN1CCN(c2cccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)CC1
InChIInChI=1S/C24H29N7/c1-30-9-11-31(12-10-30)22-4-2-3-20-18(22)14-21(27-20)23-19-13-17(15-26-24(19)29-28-23)16-5-7-25-8-6-16/h2-4,13-16,25,27H,5-12H2,1H3,(H,26,28,29)
InChIKeyWAUOIGLTXKVKNT-UHFFFAOYSA-N
XLogP3.33
TPSA75.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137040746
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114900
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137145128
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137280718
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137102767
2-(dimethylamino)-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137041769
4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole
CID 137041220
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040932
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
CID 137114193
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137311835
N-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137041256
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137310785

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 137040064) is 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is CN1CCN(c2cccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is WAUOIGLTXKVKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7/c1-30-9-11-31(12-10-30)22-4-2-3-20-18(22)14-21(27-20)23-19-13-17(15-26-24(19)29-28-23)16-5-7-25-8-6-16/h2-4,13-16,25,27H,5-12H2,1H3,(H,26,28,29).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 415.55 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137040064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).