N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide

C25H31ClN4O3 — CID 135335095

IUPACN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)C(C)(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H31ClN4O3/c1-25(2,3)24(31)27-16-6-9-29(10-7-16)17-8-11-30-15-20(28-23(30)12-17)18-13-19(26)22(33-5)14-21(18)32-4/h8,11-16H,6-7,9-10H2,1-5H3,(H,27,31)
InChIKeyKRYFERUFKJZSMM-UHFFFAOYSA-N
MW471.00 g/mol
LogP4.80
Rot. Bonds5

About N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 135335095) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID135335095
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)C(C)(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H31ClN4O3/c1-25(2,3)24(31)27-16-6-9-29(10-7-16)17-8-11-30-15-20(28-23(30)12-17)18-13-19(26)22(33-5)14-21(18)32-4/h8,11-16H,6-7,9-10H2,1-5H3,(H,27,31)
InChIKeyKRYFERUFKJZSMM-UHFFFAOYSA-N
XLogP4.80
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 135335095) is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide is COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)C(C)(C)C)CC4)cc3n2)cc1Cl.
What is the InChIKey of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is KRYFERUFKJZSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O3/c1-25(2,3)24(31)27-16-6-9-29(10-7-16)17-8-11-30-15-20(28-23(30)12-17)18-13-19(26)22(33-5)14-21(18)32-4/h8,11-16H,6-7,9-10H2,1-5H3,(H,27,31).
What are the key properties of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 471.00 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 135335095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).