4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

C14H13N5S — CID 133307475

IUPAC4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESC1=C(c2cccs2)CCN(c2ncnc3[nH]ncc23)C1
InChIInChI=1S/C14H13N5S/c1-2-12(20-7-1)10-3-5-19(6-4-10)14-11-8-17-18-13(11)15-9-16-14/h1-3,7-9H,4-6H2,(H,15,16,17,18)
InChIKeyNZFAHVNZEXCART-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.71
Rot. Bonds2

About 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 133307475) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID133307475
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESC1=C(c2cccs2)CCN(c2ncnc3[nH]ncc23)C1
InChIInChI=1S/C14H13N5S/c1-2-12(20-7-1)10-3-5-19(6-4-10)14-11-8-17-18-13(11)15-9-16-14/h1-3,7-9H,4-6H2,(H,15,16,17,18)
InChIKeyNZFAHVNZEXCART-UHFFFAOYSA-N
XLogP2.71
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine 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-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (CID 133307475) is 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is C1=C(c2cccs2)CCN(c2ncnc3[nH]ncc23)C1.
What is the InChIKey of 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is NZFAHVNZEXCART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-2-12(20-7-1)10-3-5-19(6-4-10)14-11-8-17-18-13(11)15-9-16-14/h1-3,7-9H,4-6H2,(H,15,16,17,18).
What are the key properties of 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 283.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 133307475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).