ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate

C25H21ClN4O4 — CID 163255398

IUPACethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
SMILESCCOC(=O)c1cc(N(C)C(=O)c2ccn3ncc(-c4ccc(C(N)=O)cc4)c3c2)ccc1Cl
InChIInChI=1S/C25H21ClN4O4/c1-3-34-25(33)19-13-18(8-9-21(19)26)29(2)24(32)17-10-11-30-22(12-17)20(14-28-30)15-4-6-16(7-5-15)23(27)31/h4-14H,3H2,1-2H3,(H2,27,31)
InChIKeyDZBPXOXEBKLNOP-UHFFFAOYSA-N
MW476.92 g/mol
LogP4.21
Rot. Bonds6

About ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate

ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate (PubChem CID 163255398) has the molecular formula C25H21ClN4O4 and a molecular weight of 476.92 g/mol. Its IUPAC name is ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate.

Molecular Properties

Compound Nameethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
PubChem CID163255398
Molecular FormulaC25H21ClN4O4
Molecular Weight476.92 g/mol
Exact Mass476.13
IUPAC Nameethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
SMILESCCOC(=O)c1cc(N(C)C(=O)c2ccn3ncc(-c4ccc(C(N)=O)cc4)c3c2)ccc1Cl
InChIInChI=1S/C25H21ClN4O4/c1-3-34-25(33)19-13-18(8-9-21(19)26)29(2)24(32)17-10-11-30-22(12-17)20(14-28-30)15-4-6-16(7-5-15)23(27)31/h4-14H,3H2,1-2H3,(H2,27,31)
InChIKeyDZBPXOXEBKLNOP-UHFFFAOYSA-N
XLogP4.21
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate with MolForge

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Related Compounds

tert-butyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
CID 163255355
5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoic acid;oxolan-2-ylmethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate
CID 164962291
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 176643568
ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]pyrazole-4-carboxylate
CID 154690893
4-(5-ethoxypyrazolo[1,5-a]pyridin-3-yl)aniline
CID 177175604
ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
CID 46778786
3-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 166287912
ethyl 5-amino-2-(4-carbamoylpyrazol-1-yl)-3-chlorobenzoate
CID 107197136

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
The IUPAC name of ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate (CID 163255398) is ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate.
What is the SMILES notation for ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
The canonical SMILES for ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate is CCOC(=O)c1cc(N(C)C(=O)c2ccn3ncc(-c4ccc(C(N)=O)cc4)c3c2)ccc1Cl.
What is the InChIKey of ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
The InChIKey is DZBPXOXEBKLNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O4/c1-3-34-25(33)19-13-18(8-9-21(19)26)29(2)24(32)17-10-11-30-22(12-17)20(14-28-30)15-4-6-16(7-5-15)23(27)31/h4-14H,3H2,1-2H3,(H2,27,31).
What are the key properties of ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate?
ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate has a molecular weight of 476.92 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyridine-5-carbonyl]-methylamino]-2-chlorobenzoate is sourced from PubChem (CID 163255398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).