4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole

C21H22N6 — CID 137041220

IUPAC4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole
SMILESCN1CCN(c2cccc3[nH]c(-c4cc(-c5ccncc5)n[nH]4)cc23)CC1
InChIInChI=1S/C21H22N6/c1-26-9-11-27(12-10-26)21-4-2-3-17-16(21)13-19(23-17)20-14-18(24-25-20)15-5-7-22-8-6-15/h2-8,13-14,23H,9-12H2,1H3,(H,24,25)
InChIKeyOMWBSWXIMYVRJL-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.37
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole

4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole (PubChem CID 137041220) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole
PubChem CID137041220
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole
SMILESCN1CCN(c2cccc3[nH]c(-c4cc(-c5ccncc5)n[nH]4)cc23)CC1
InChIInChI=1S/C21H22N6/c1-26-9-11-27(12-10-26)21-4-2-3-17-16(21)13-19(23-17)20-14-18(24-25-20)15-5-7-22-8-6-15/h2-8,13-14,23H,9-12H2,1H3,(H,24,25)
InChIKeyOMWBSWXIMYVRJL-UHFFFAOYSA-N
XLogP3.37
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137115280
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
CID 137117082
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-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040064
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137113296
2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole
CID 137113693
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137115371
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114900
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137112904
4-pyridin-3-yl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-indole
CID 137112879
4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine
CID 137040605
4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
CID 137114557

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole (CID 137041220) is 4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole is CN1CCN(c2cccc3[nH]c(-c4cc(-c5ccncc5)n[nH]4)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole?
The InChIKey is OMWBSWXIMYVRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-26-9-11-27(12-10-26)21-4-2-3-17-16(21)13-19(23-17)20-14-18(24-25-20)15-5-7-22-8-6-15/h2-8,13-14,23H,9-12H2,1H3,(H,24,25).
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole?
4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole has a molecular weight of 358.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole is sourced from PubChem (CID 137041220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).