N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine

C20H21N7OS — CID 88920619

IUPACN-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
SMILES[H]/N=C/c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)co1
InChIInChI=1S/C20H21N7OS/c1-12-5-19(29-26-12)25-18-7-17(13-3-2-4-22-9-13)24-20-16(10-23-27(18)20)14-6-15(8-21)28-11-14/h5-8,10-11,13,21-22,25H,2-4,9H2,1H3/b21-8+
InChIKeyUKXSRJSJDGXCSK-ODCIPOBUSA-N
MW407.50 g/mol
LogP3.96
Rot. Bonds5

About N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine

N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 88920619) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID88920619
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC NameN-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
SMILES[H]/N=C/c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)co1
InChIInChI=1S/C20H21N7OS/c1-12-5-19(29-26-12)25-18-7-17(13-3-2-4-22-9-13)24-20-16(10-23-27(18)20)14-6-15(8-21)28-11-14/h5-8,10-11,13,21-22,25H,2-4,9H2,1H3/b21-8+
InChIKeyUKXSRJSJDGXCSK-ODCIPOBUSA-N
XLogP3.96
TPSA104.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-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-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine (CID 88920619) is N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine is [H]/N=C/c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)co1.
What is the InChIKey of N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is UKXSRJSJDGXCSK-ODCIPOBUSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-12-5-19(29-26-12)25-18-7-17(13-3-2-4-22-9-13)24-20-16(10-23-27(18)20)14-6-15(8-21)28-11-14/h5-8,10-11,13,21-22,25H,2-4,9H2,1H3/b21-8+.
What are the key properties of N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 407.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methanimidoylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 88920619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).