ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate

C23H28ClN5O5 — CID 139373621

IUPACethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(Cl)cn(CC)c3=O)cc12
InChIInChI=1S/C23H28ClN5O5/c1-7-28-13-14(24)9-17(20(28)30)26-15-10-18-16(21(31)33-8-2)12-25-29(18)19(11-15)27(6)22(32)34-23(3,4)5/h9-13,26H,7-8H2,1-6H3
InChIKeyQIOYXAOLEBDOSK-UHFFFAOYSA-N
MW489.96 g/mol
LogP4.46
Rot. Bonds6

About ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 139373621) has the molecular formula C23H28ClN5O5 and a molecular weight of 489.96 g/mol. Its IUPAC name is ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID139373621
Molecular FormulaC23H28ClN5O5
Molecular Weight489.96 g/mol
Exact Mass489.18
IUPAC Nameethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(Cl)cn(CC)c3=O)cc12
InChIInChI=1S/C23H28ClN5O5/c1-7-28-13-14(24)9-17(20(28)30)26-15-10-18-16(21(31)33-8-2)12-25-29(18)19(11-15)27(6)22(32)34-23(3,4)5/h9-13,26H,7-8H2,1-6H3
InChIKeyQIOYXAOLEBDOSK-UHFFFAOYSA-N
XLogP4.46
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137450596
tert-butyl N-[5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(2-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate
CID 139425536
tert-butyl N-[3-carbamoyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137450058
ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 162374914
ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine
CID 162074326
ethyl 5-[6-(hydroxymethyl)indol-1-yl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155114570
5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449658
tert-butyl N-[5-chloro-3-(2-methoxyacetyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 176913724
tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137450333
ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11223923
tert-butyl N-[5-chloro-3-[[(1R,2R)-2-ethoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 139383826
[5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]boronic acid
CID 176913758

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 139373621) is ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(Cl)cn(CC)c3=O)cc12.
What is the InChIKey of ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is QIOYXAOLEBDOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O5/c1-7-28-13-14(24)9-17(20(28)30)26-15-10-18-16(21(31)33-8-2)12-25-29(18)19(11-15)27(6)22(32)34-23(3,4)5/h9-13,26H,7-8H2,1-6H3.
What are the key properties of ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 489.96 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 139373621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).