[1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

C21H23ClN4O5 — CID 135334990

IUPAC[1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)C(NC(=O)O)C(C)C)cc3n2)cc1Cl
InChIInChI=1S/C21H23ClN4O5/c1-11(2)19(25-21(28)29)20(27)23-12-5-6-26-10-15(24-18(26)7-12)13-8-14(22)17(31-4)9-16(13)30-3/h5-11,19,25H,1-4H3,(H,23,27)(H,28,29)
InChIKeyRXUSPPAZVLIUJM-UHFFFAOYSA-N
MW446.89 g/mol
LogP3.90
Rot. Bonds7

About [1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

[1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 135334990) has the molecular formula C21H23ClN4O5 and a molecular weight of 446.89 g/mol. Its IUPAC name is [1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
PubChem CID135334990
Molecular FormulaC21H23ClN4O5
Molecular Weight446.89 g/mol
Exact Mass446.14
IUPAC Name[1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)C(NC(=O)O)C(C)C)cc3n2)cc1Cl
InChIInChI=1S/C21H23ClN4O5/c1-11(2)19(25-21(28)29)20(27)23-12-5-6-26-10-15(24-18(26)7-12)13-8-14(22)17(31-4)9-16(13)30-3/h5-11,19,25H,1-4H3,(H,23,27)(H,28,29)
InChIKeyRXUSPPAZVLIUJM-UHFFFAOYSA-N
XLogP3.90
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide
CID 135334896
(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
2-(5-chloro-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine
CID 135335373
N-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-(methylamino)acetamide
CID 135334878
(2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide
CID 154702324
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
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
2-[[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]amino]ethylcarbamic acid
CID 135335103
N-[2-[[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide
CID 154702294
[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-2-iodopiperidin-4-yl]carbamic acid
CID 135335365
tert-butyl (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 135335249

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [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) is [1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid is COc1cc(OC)c(-c2cn3ccc(NC(=O)C(NC(=O)O)C(C)C)cc3n2)cc1Cl.
What is the InChIKey of [1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is RXUSPPAZVLIUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O5/c1-11(2)19(25-21(28)29)20(27)23-12-5-6-26-10-15(24-18(26)7-12)13-8-14(22)17(31-4)9-16(13)30-3/h5-11,19,25H,1-4H3,(H,23,27)(H,28,29).
What are the key properties of [1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
[1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 446.89 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 135334990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).