N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine

C20H20N8 — CID 18697939

IUPACN-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine
SMILESc1cc(-c2ccc(N3CCNCC3)nc2)nc(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C20H20N8/c1-3-16(11-18-15(1)13-24-27-18)25-20-22-6-5-17(26-20)14-2-4-19(23-12-14)28-9-7-21-8-10-28/h1-6,11-13,21H,7-10H2,(H,24,27)(H,22,25,26)
InChIKeyAWHXWNIHKKBDPK-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.57
Rot. Bonds4

About N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine

N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine (PubChem CID 18697939) has the molecular formula C20H20N8 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine
PubChem CID18697939
Molecular FormulaC20H20N8
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine
SMILESc1cc(-c2ccc(N3CCNCC3)nc2)nc(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C20H20N8/c1-3-16(11-18-15(1)13-24-27-18)25-20-22-6-5-17(26-20)14-2-4-19(23-12-14)28-9-7-21-8-10-28/h1-6,11-13,21H,7-10H2,(H,24,27)(H,22,25,26)
InChIKeyAWHXWNIHKKBDPK-UHFFFAOYSA-N
XLogP2.57
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-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 N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine?
The IUPAC name of N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine (CID 18697939) is N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine.
What is the SMILES notation for N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine?
The canonical SMILES for N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine is c1cc(-c2ccc(N3CCNCC3)nc2)nc(Nc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine?
The InChIKey is AWHXWNIHKKBDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8/c1-3-16(11-18-15(1)13-24-27-18)25-20-22-6-5-17(26-20)14-2-4-19(23-12-14)28-9-7-21-8-10-28/h1-6,11-13,21H,7-10H2,(H,24,27)(H,22,25,26).
What are the key properties of N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine?
N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine has a molecular weight of 372.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine is sourced from PubChem (CID 18697939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).