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

C24H29N7 — CID 137114900

IUPAC3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)cc23)CC1
InChIInChI=1S/C24H29N7/c1-30-11-13-31(14-12-30)22-4-2-3-19-17(22)15-21(26-19)24-23-20(28-29-24)6-5-18(27-23)16-7-9-25-10-8-16/h2-6,15-16,25-26H,7-14H2,1H3,(H,28,29)
InChIKeyZMEAVNFTHOOVTB-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-1H-pyrazolo[4,3-b]pyridine

3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137114900) 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-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137114900
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-1H-pyrazolo[4,3-b]pyridine
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)cc23)CC1
InChIInChI=1S/C24H29N7/c1-30-11-13-31(14-12-30)22-4-2-3-19-17(22)15-21(26-19)24-23-20(28-29-24)6-5-18(27-23)16-7-9-25-10-8-16/h2-6,15-16,25-26H,7-14H2,1H3,(H,28,29)
InChIKeyZMEAVNFTHOOVTB-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

3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137112601
5-piperidin-4-yl-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114690
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040064
3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137039627
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114479
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-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137115210
3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137109131
N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137115280
1-[6-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137116753
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137039162
4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole
CID 137041220

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine (CID 137114900) is 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine is CN1CCN(c2cccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)cc23)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is ZMEAVNFTHOOVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7/c1-30-11-13-31(14-12-30)22-4-2-3-19-17(22)15-21(26-19)24-23-20(28-29-24)6-5-18(27-23)16-7-9-25-10-8-16/h2-6,15-16,25-26H,7-14H2,1H3,(H,28,29).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-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-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137114900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).