5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide

C20H23ClN4O2 — CID 130459571

IUPAC5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide
SMILESCCNc1cc(Cl)cc(C(=O)NCc2c(CC)cc3cc[nH]n3c2=O)c1C
InChIInChI=1S/C20H23ClN4O2/c1-4-13-8-15-6-7-24-25(15)20(27)17(13)11-23-19(26)16-9-14(21)10-18(12(16)3)22-5-2/h6-10,22,24H,4-5,11H2,1-3H3,(H,23,26)
InChIKeyCRYIYNYFAHWVKL-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.51
Rot. Bonds6

About 5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide

5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide (PubChem CID 130459571) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide
PubChem CID130459571
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide
SMILESCCNc1cc(Cl)cc(C(=O)NCc2c(CC)cc3cc[nH]n3c2=O)c1C
InChIInChI=1S/C20H23ClN4O2/c1-4-13-8-15-6-7-24-25(15)20(27)17(13)11-23-19(26)16-9-14(21)10-18(12(16)3)22-5-2/h6-10,22,24H,4-5,11H2,1-3H3,(H,23,26)
InChIKeyCRYIYNYFAHWVKL-UHFFFAOYSA-N
XLogP3.51
TPSA78.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide
CID 130459350
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)benzamide
CID 70913266
5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;5-chloro-3-(ethylamino)-2-methyl-N-[(7-methyl-5-oxo-1H-triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;bis(N,N-dimethylcyclohexanamine);ethane
CID 144778406
5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine
CID 144654721
5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62181465
3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide
CID 130459810
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151552
1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
CID 23619743
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-2-methylbenzamide
CID 70913209
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(2-methoxypyrimidin-5-yl)-2-methylbenzamide
CID 155215801
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
CID 90150987

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide (CID 130459571) is 5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide is CCNc1cc(Cl)cc(C(=O)NCc2c(CC)cc3cc[nH]n3c2=O)c1C.
What is the InChIKey of 5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide?
The InChIKey is CRYIYNYFAHWVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-4-13-8-15-6-7-24-25(15)20(27)17(13)11-23-19(26)16-9-14(21)10-18(12(16)3)22-5-2/h6-10,22,24H,4-5,11H2,1-3H3,(H,23,26).
What are the key properties of 5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide?
5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide has a molecular weight of 386.88 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 130459571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).