(2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride

C24H23Cl2N3O3 — CID 135335189

IUPAC(2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride
SMILESCOc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)[C@H](C)N)cc4)cc3n2)cc1Cl.Cl
InChIInChI=1S/C24H22ClN3O3.ClH/c1-14(26)24(29)16-6-4-15(5-7-16)17-8-9-28-13-20(27-23(28)10-17)18-11-19(25)22(31-3)12-21(18)30-2;/h4-14H,26H2,1-3H3;1H/t14-;/m0./s1
InChIKeyIMOUXNDWYRRXCQ-UQKRIMTDSA-N
MW472.37 g/mol
LogP5.29
Rot. Bonds6

About (2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride

(2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride (PubChem CID 135335189) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride
PubChem CID135335189
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name(2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride
SMILESCOc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)[C@H](C)N)cc4)cc3n2)cc1Cl.Cl
InChIInChI=1S/C24H22ClN3O3.ClH/c1-14(26)24(29)16-6-4-15(5-7-16)17-8-9-28-13-20(27-23(28)10-17)18-11-19(25)22(31-3)12-21(18)30-2;/h4-14H,26H2,1-3H3;1H/t14-;/m0./s1
InChIKeyIMOUXNDWYRRXCQ-UQKRIMTDSA-N
XLogP5.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.37
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride (CID 135335189) is (2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride is COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)[C@H](C)N)cc4)cc3n2)cc1Cl.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride?
The InChIKey is IMOUXNDWYRRXCQ-UQKRIMTDSA-N. The full InChI is InChI=1S/C24H22ClN3O3.ClH/c1-14(26)24(29)16-6-4-15(5-7-16)17-8-9-28-13-20(27-23(28)10-17)18-11-19(25)22(31-3)12-21(18)30-2;/h4-14H,26H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of (2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride?
(2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride has a molecular weight of 472.37 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 135335189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).