tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid

C27H35ClN4O4 — CID 135335366

IUPACtert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(CCN(C(=O)O)C(C)(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H35ClN4O4/c1-27(2,3)32(26(33)34)13-8-18-6-10-30(11-7-18)19-9-12-31-17-22(29-25(31)14-19)20-15-21(28)24(36-5)16-23(20)35-4/h9,12,14-18H,6-8,10-11,13H2,1-5H3,(H,33,34)
InChIKeyDDUSEXRYOLCXLH-UHFFFAOYSA-N
MW515.05 g/mol
LogP6.06
Rot. Bonds7

About tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid

tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid (PubChem CID 135335366) has the molecular formula C27H35ClN4O4 and a molecular weight of 515.05 g/mol. Its IUPAC name is tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid
PubChem CID135335366
Molecular FormulaC27H35ClN4O4
Molecular Weight515.05 g/mol
Exact Mass514.23
IUPAC Nametert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(CCN(C(=O)O)C(C)(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H35ClN4O4/c1-27(2,3)32(26(33)34)13-8-18-6-10-30(11-7-18)19-9-12-31-17-22(29-25(31)14-19)20-15-21(28)24(36-5)16-23(20)35-4/h9,12,14-18H,6-8,10-11,13H2,1-5H3,(H,33,34)
InChIKeyDDUSEXRYOLCXLH-UHFFFAOYSA-N
XLogP6.06
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.05
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperidin-4-amine
CID 135335326
ethyl 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-4-carboxylate
CID 135281370
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135335286
3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 161118286
2-(5-chloro-2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
CID 135335495
tert-butyl 4-[[[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-3-yl]amino]methyl]piperidine-1-carboxylate
CID 135335178
methyl 4-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
CID 135335308
1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
CID 140914841
[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate
CID 140914849
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135281275
tert-butyl N-[4-[[[(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]amino]methyl]phenyl]-N-methylcarbamate
CID 140914752

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid (CID 135335366) is tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid is COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN(C(=O)O)C(C)(C)C)CC4)cc3n2)cc1Cl.
What is the InChIKey of tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid?
The InChIKey is DDUSEXRYOLCXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O4/c1-27(2,3)32(26(33)34)13-8-18-6-10-30(11-7-18)19-9-12-31-17-22(29-25(31)14-19)20-15-21(28)24(36-5)16-23(20)35-4/h9,12,14-18H,6-8,10-11,13H2,1-5H3,(H,33,34).
What are the key properties of tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid?
tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid has a molecular weight of 515.05 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid is sourced from PubChem (CID 135335366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).