N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine

C23H25N5OS — CID 155847705

IUPACN-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESc1cc(CN2CCC3(COCc4cnc(NC5CC5)nc43)C2)nc(-c2cccs2)c1
InChIInChI=1S/C23H25N5OS/c1-3-18(25-19(4-1)20-5-2-10-30-20)12-28-9-8-23(14-28)15-29-13-16-11-24-22(27-21(16)23)26-17-6-7-17/h1-5,10-11,17H,6-9,12-15H2,(H,24,26,27)
InChIKeyJAXVLWAUCRNTEW-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.85
Rot. Bonds5

About N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine

N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (PubChem CID 155847705) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
PubChem CID155847705
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC NameN-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
SMILESc1cc(CN2CCC3(COCc4cnc(NC5CC5)nc43)C2)nc(-c2cccs2)c1
InChIInChI=1S/C23H25N5OS/c1-3-18(25-19(4-1)20-5-2-10-30-20)12-28-9-8-23(14-28)15-29-13-16-11-24-22(27-21(16)23)26-17-6-7-17/h1-5,10-11,17H,6-9,12-15H2,(H,24,26,27)
InChIKeyJAXVLWAUCRNTEW-UHFFFAOYSA-N
XLogP3.85
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-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 N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The IUPAC name of N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine (CID 155847705) is N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine.
What is the SMILES notation for N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The canonical SMILES for N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is c1cc(CN2CCC3(COCc4cnc(NC5CC5)nc43)C2)nc(-c2cccs2)c1.
What is the InChIKey of N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
The InChIKey is JAXVLWAUCRNTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-3-18(25-19(4-1)20-5-2-10-30-20)12-28-9-8-23(14-28)15-29-13-16-11-24-22(27-21(16)23)26-17-6-7-17/h1-5,10-11,17H,6-9,12-15H2,(H,24,26,27).
What are the key properties of N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine?
N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine has a molecular weight of 419.55 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1'-[(6-thiophen-2-yl-2-pyridinyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine is sourced from PubChem (CID 155847705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).