2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile

C23H20Cl2N6O — CID 155089411

IUPAC2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
SMILESCc1nc(N2CCC3(CC2)Oc2ncccc2C3N)nc(C#N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C23H20Cl2N6O/c1-13-18(14-4-2-6-16(24)19(14)25)17(12-26)30-22(29-13)31-10-7-23(8-11-31)20(27)15-5-3-9-28-21(15)32-23/h2-6,9,20H,7-8,10-11,27H2,1H3
InChIKeyLHCGCPJZYHKBIO-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.46
Rot. Bonds2

About 2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile

2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile (PubChem CID 155089411) has the molecular formula C23H20Cl2N6O and a molecular weight of 467.36 g/mol. Its IUPAC name is 2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
PubChem CID155089411
Molecular FormulaC23H20Cl2N6O
Molecular Weight467.36 g/mol
Exact Mass466.11
IUPAC Name2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
SMILESCc1nc(N2CCC3(CC2)Oc2ncccc2C3N)nc(C#N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C23H20Cl2N6O/c1-13-18(14-4-2-6-16(24)19(14)25)17(12-26)30-22(29-13)31-10-7-23(8-11-31)20(27)15-5-3-9-28-21(15)32-23/h2-6,9,20H,7-8,10-11,27H2,1H3
InChIKeyLHCGCPJZYHKBIO-UHFFFAOYSA-N
XLogP4.46
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile (CID 155089411) is 2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile is Cc1nc(N2CCC3(CC2)Oc2ncccc2C3N)nc(C#N)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is LHCGCPJZYHKBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O/c1-13-18(14-4-2-6-16(24)19(14)25)17(12-26)30-22(29-13)31-10-7-23(8-11-31)20(27)15-5-3-9-28-21(15)32-23/h2-6,9,20H,7-8,10-11,27H2,1H3.
What are the key properties of 2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile?
2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 467.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 155089411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).