(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide

C22H27ClN4O3 — CID 135281215

IUPAC(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)[C@H](C(C)C)N(C)C)cc3n2)cc1Cl
InChIInChI=1S/C22H27ClN4O3/c1-13(2)21(26(3)4)22(28)24-14-7-8-27-12-17(25-20(27)9-14)15-10-16(23)19(30-6)11-18(15)29-5/h7-13,21H,1-6H3,(H,24,28)/t21-/m0/s1
InChIKeySSDNXOWYURZRGT-NRFANRHFSA-N
MW430.94 g/mol
LogP4.20
Rot. Bonds7

About (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide

(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide (PubChem CID 135281215) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide
PubChem CID135281215
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)[C@H](C(C)C)N(C)C)cc3n2)cc1Cl
InChIInChI=1S/C22H27ClN4O3/c1-13(2)21(26(3)4)22(28)24-14-7-8-27-12-17(25-20(27)9-14)15-10-16(23)19(30-6)11-18(15)29-5/h7-13,21H,1-6H3,(H,24,28)/t21-/m0/s1
InChIKeySSDNXOWYURZRGT-NRFANRHFSA-N
XLogP4.20
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-1-(2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl)-N-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 135281262
example 203 [WO2017058503A1]
CID 140914460
N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine
CID 135334973
2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridin-7-amine
CID 168274048
2-(2,4-dimethoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine
CID 168275531
2-(2,4-Dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 168280164
2-(2,4-Dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 168285327
2-(2,4-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridin-7-amine
CID 168286627
cis-N1-(2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl)-N4-(4-nitrobenzyl)cyclohexane-1,4-diamine
CID 134817271
2-[4-[2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 135281208
4-[4-[2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine
CID 135281212
2-(5-Chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
CID 135281222

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide?
The IUPAC name of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide (CID 135281215) is (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide.
What is the SMILES notation for (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide?
The canonical SMILES for (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide is COc1cc(OC)c(-c2cn3ccc(NC(=O)[C@H](C(C)C)N(C)C)cc3n2)cc1Cl.
What is the InChIKey of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide?
The InChIKey is SSDNXOWYURZRGT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-13(2)21(26(3)4)22(28)24-14-7-8-27-12-17(25-20(27)9-14)15-10-16(23)19(30-6)11-18(15)29-5/h7-13,21H,1-6H3,(H,24,28)/t21-/m0/s1.
What are the key properties of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide?
(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide has a molecular weight of 430.94 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-(dimethylamino)-3-methylbutanamide is sourced from PubChem (CID 135281215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).