[2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium

C24H33N8+ — CID 68748883

IUPAC[2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium
SMILESC[N+](C)(c1ccc(CN2CCCCC2)cc1)c1cnc(N)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C24H33N8/c1-32(2,19-8-6-18(7-9-19)15-30-11-4-3-5-12-30)22-14-26-24(25)29-23(22)31-13-10-20-21(16-31)28-17-27-20/h6-9,14,17H,3-5,10-13,15-16H2,1-2H3,(H,27,28)(H2,25,26,29)/q+1
InChIKeyPIADPYKGOGCXAK-UHFFFAOYSA-N
MW433.58 g/mol
LogP3.23
Rot. Bonds5

About [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium

[2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium (PubChem CID 68748883) has the molecular formula C24H33N8+ and a molecular weight of 433.58 g/mol. Its IUPAC name is [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium.

Molecular Properties

Compound Name[2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium
PubChem CID68748883
Molecular FormulaC24H33N8+
Molecular Weight433.58 g/mol
Exact Mass433.28
IUPAC Name[2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium
SMILESC[N+](C)(c1ccc(CN2CCCCC2)cc1)c1cnc(N)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C24H33N8/c1-32(2,19-8-6-18(7-9-19)15-30-11-4-3-5-12-30)22-14-26-24(25)29-23(22)31-13-10-20-21(16-31)28-17-27-20/h6-9,14,17H,3-5,10-13,15-16H2,1-2H3,(H,27,28)(H2,25,26,29)/q+1
InChIKeyPIADPYKGOGCXAK-UHFFFAOYSA-N
XLogP3.23
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium 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 [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium?
The IUPAC name of [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium (CID 68748883) is [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium.
What is the SMILES notation for [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium?
The canonical SMILES for [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium is C[N+](C)(c1ccc(CN2CCCCC2)cc1)c1cnc(N)nc1N1CCc2nc[nH]c2C1.
What is the InChIKey of [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium?
The InChIKey is PIADPYKGOGCXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N8/c1-32(2,19-8-6-18(7-9-19)15-30-11-4-3-5-12-30)22-14-26-24(25)29-23(22)31-13-10-20-21(16-31)28-17-27-20/h6-9,14,17H,3-5,10-13,15-16H2,1-2H3,(H,27,28)(H2,25,26,29)/q+1.
What are the key properties of [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium?
[2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium has a molecular weight of 433.58 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]-dimethyl-[4-(piperidin-1-ylmethyl)phenyl]azanium is sourced from PubChem (CID 68748883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).