2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine

C22H25N5 — CID 137374325

IUPAC2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine
SMILESCc1cn2cc(C3=CCN4C=C(C5CCNCC5)C=CC4=N3)cc(C)c2n1
InChIInChI=1S/C22H25N5/c1-15-11-19(14-27-12-16(2)24-22(15)27)20-7-10-26-13-18(3-4-21(26)25-20)17-5-8-23-9-6-17/h3-4,7,11-14,17,23H,5-6,8-10H2,1-2H3
InChIKeyDWHMOFJPCSHIHX-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.46
Rot. Bonds2

About 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine

2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine (PubChem CID 137374325) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine
PubChem CID137374325
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine
SMILESCc1cn2cc(C3=CCN4C=C(C5CCNCC5)C=CC4=N3)cc(C)c2n1
InChIInChI=1S/C22H25N5/c1-15-11-19(14-27-12-16(2)24-22(15)27)20-7-10-26-13-18(3-4-21(26)25-20)17-5-8-23-9-6-17/h3-4,7,11-14,17,23H,5-6,8-10H2,1-2H3
InChIKeyDWHMOFJPCSHIHX-UHFFFAOYSA-N
XLogP3.46
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine (CID 137374325) is 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine is Cc1cn2cc(C3=CCN4C=C(C5CCNCC5)C=CC4=N3)cc(C)c2n1.
What is the InChIKey of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is DWHMOFJPCSHIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-15-11-19(14-27-12-16(2)24-22(15)27)20-7-10-26-13-18(3-4-21(26)25-20)17-5-8-23-9-6-17/h3-4,7,11-14,17,23H,5-6,8-10H2,1-2H3.
What are the key properties of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine?
2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 359.48 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 137374325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).