N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide

C24H28N8O — CID 118930296

IUPACN,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1
InChIInChI=1S/C24H28N8O/c1-28(2)24(33)17-30-8-10-31(11-9-30)23-13-21(6-7-25-23)32-22-12-18(4-5-19(22)14-27-32)20-15-26-29(3)16-20/h4-7,12-16H,8-11,17H2,1-3H3
InChIKeyQYYZAYNJGFOJLJ-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.03
Rot. Bonds5

About N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 118930296) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID118930296
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC NameN,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1
InChIInChI=1S/C24H28N8O/c1-28(2)24(33)17-30-8-10-31(11-9-30)23-13-21(6-7-25-23)32-22-12-18(4-5-19(22)14-27-32)20-15-26-29(3)16-20/h4-7,12-16H,8-11,17H2,1-3H3
InChIKeyQYYZAYNJGFOJLJ-UHFFFAOYSA-N
XLogP2.03
TPSA75.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide (CID 118930296) is N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide is CN(C)C(=O)CN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is QYYZAYNJGFOJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-28(2)24(33)17-30-8-10-31(11-9-30)23-13-21(6-7-25-23)32-22-12-18(4-5-19(22)14-27-32)20-15-26-29(3)16-20/h4-7,12-16H,8-11,17H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 118930296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).