1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C25H24Cl2N6 — CID 164743863

IUPAC1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1nc(N2CCC3(CC2)Cc2ncccc2C3N)n2ccnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H24Cl2N6/c1-15-20(17-4-2-6-18(26)21(17)27)23-30-10-13-33(23)24(31-15)32-11-7-25(8-12-32)14-19-16(22(25)28)5-3-9-29-19/h2-6,9-10,13,22H,7-8,11-12,14,28H2,1H3
InChIKeyXTHVGHRFYGYNIW-UHFFFAOYSA-N
MW479.42 g/mol
LogP5.25
Rot. Bonds2

About 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 164743863) has the molecular formula C25H24Cl2N6 and a molecular weight of 479.42 g/mol. Its IUPAC name is 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID164743863
Molecular FormulaC25H24Cl2N6
Molecular Weight479.42 g/mol
Exact Mass478.14
IUPAC Name1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1nc(N2CCC3(CC2)Cc2ncccc2C3N)n2ccnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H24Cl2N6/c1-15-20(17-4-2-6-18(26)21(17)27)23-30-10-13-33(23)24(31-15)32-11-7-25(8-12-32)14-19-16(22(25)28)5-3-9-29-19/h2-6,9-10,13,22H,7-8,11-12,14,28H2,1H3
InChIKeyXTHVGHRFYGYNIW-UHFFFAOYSA-N
XLogP5.25
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 164743863) is 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Cc1nc(N2CCC3(CC2)Cc2ncccc2C3N)n2ccnc2c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is XTHVGHRFYGYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6/c1-15-20(17-4-2-6-18(26)21(17)27)23-30-10-13-33(23)24(31-15)32-11-7-25(8-12-32)14-19-16(22(25)28)5-3-9-29-19/h2-6,9-10,13,22H,7-8,11-12,14,28H2,1H3.
What are the key properties of 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 479.42 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 164743863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).