2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C17H22F2N4O2 — CID 170622274

IUPAC2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc(OCC23CCCN2CC(=C(F)F)C3)nc2c1CCNC2
InChIInChI=1S/C17H22F2N4O2/c1-24-15-12-3-5-20-8-13(12)21-16(22-15)25-10-17-4-2-6-23(17)9-11(7-17)14(18)19/h20H,2-10H2,1H3
InChIKeyAZYVXBXEUHFIRX-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.90
Rot. Bonds4

About 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 170622274) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID170622274
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc(OCC23CCCN2CC(=C(F)F)C3)nc2c1CCNC2
InChIInChI=1S/C17H22F2N4O2/c1-24-15-12-3-5-20-8-13(12)21-16(22-15)25-10-17-4-2-6-23(17)9-11(7-17)14(18)19/h20H,2-10H2,1H3
InChIKeyAZYVXBXEUHFIRX-UHFFFAOYSA-N
XLogP1.90
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-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 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 170622274) is 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is COc1nc(OCC23CCCN2CC(=C(F)F)C3)nc2c1CCNC2.
What is the InChIKey of 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is AZYVXBXEUHFIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O2/c1-24-15-12-3-5-20-8-13(12)21-16(22-15)25-10-17-4-2-6-23(17)9-11(7-17)14(18)19/h20H,2-10H2,1H3.
What are the key properties of 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 352.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 170622274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).