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

C21H25ClN4O3 — CID 135334896

IUPAC(2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide
SMILESCC[C@@H](C)[C@H](N)C(=O)Nc1ccn2cc(-c3cc(Cl)c(OC)cc3OC)nc2c1
InChIInChI=1S/C21H25ClN4O3/c1-5-12(2)20(23)21(27)24-13-6-7-26-11-16(25-19(26)8-13)14-9-15(22)18(29-4)10-17(14)28-3/h6-12,20H,5,23H2,1-4H3,(H,24,27)/t12-,20+/m1/s1
InChIKeyUIYUZBKTTZUVEM-ODXCJYRJSA-N
MW416.91 g/mol
LogP3.98
Rot. Bonds7

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

(2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide (PubChem CID 135334896) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide
PubChem CID135334896
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name(2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide
SMILESCC[C@@H](C)[C@H](N)C(=O)Nc1ccn2cc(-c3cc(Cl)c(OC)cc3OC)nc2c1
InChIInChI=1S/C21H25ClN4O3/c1-5-12(2)20(23)21(27)24-13-6-7-26-11-16(25-19(26)8-13)14-9-15(22)18(29-4)10-17(14)28-3/h6-12,20H,5,23H2,1-4H3,(H,24,27)/t12-,20+/m1/s1
InChIKeyUIYUZBKTTZUVEM-ODXCJYRJSA-N
XLogP3.98
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2,6-diamino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]hexanamide
CID 135335149
2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]acetamide
CID 135335412
[1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 135334990
2-(5-chloro-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine
CID 135335373
(2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide
CID 154702324
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
N-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-(methylamino)acetamide
CID 135334878
propan-2-yl (1S,5S)-3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 135335121
propan-2-yl 3-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 135335120
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide
CID 113314970

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide?
The IUPAC name of (2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide (CID 135334896) is (2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide?
The canonical SMILES for (2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide is CC[C@@H](C)[C@H](N)C(=O)Nc1ccn2cc(-c3cc(Cl)c(OC)cc3OC)nc2c1.
What is the InChIKey of (2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide?
The InChIKey is UIYUZBKTTZUVEM-ODXCJYRJSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c1-5-12(2)20(23)21(27)24-13-6-7-26-11-16(25-19(26)8-13)14-9-15(22)18(29-4)10-17(14)28-3/h6-12,20H,5,23H2,1-4H3,(H,24,27)/t12-,20+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide?
(2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide has a molecular weight of 416.91 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide is sourced from PubChem (CID 135334896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).