4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine

C20H25N7 — CID 46899553

IUPAC4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1cc(-c2cc(-c3cn[nH]c3)cc(N3CCNCC3)n2)ccn1
InChIInChI=1S/C20H25N7/c1-14(2)25-19-10-15(3-4-22-19)18-9-16(17-12-23-24-13-17)11-20(26-18)27-7-5-21-6-8-27/h3-4,9-14,21H,5-8H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyVWVQWSIGDZWPIL-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.76
Rot. Bonds5

About 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine

4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine (PubChem CID 46899553) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine
PubChem CID46899553
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1cc(-c2cc(-c3cn[nH]c3)cc(N3CCNCC3)n2)ccn1
InChIInChI=1S/C20H25N7/c1-14(2)25-19-10-15(3-4-22-19)18-9-16(17-12-23-24-13-17)11-20(26-18)27-7-5-21-6-8-27/h3-4,9-14,21H,5-8H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyVWVQWSIGDZWPIL-UHFFFAOYSA-N
XLogP2.76
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine (CID 46899553) is 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine is CC(C)Nc1cc(-c2cc(-c3cn[nH]c3)cc(N3CCNCC3)n2)ccn1.
What is the InChIKey of 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is VWVQWSIGDZWPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-14(2)25-19-10-15(3-4-22-19)18-9-16(17-12-23-24-13-17)11-20(26-18)27-7-5-21-6-8-27/h3-4,9-14,21H,5-8H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine?
4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 46899553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).