ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

C21H21FN4O3 — CID 72673016

IUPACethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CC(C(N)=O)CC3c3cccc(F)c3)cc12
InChIInChI=1S/C21H21FN4O3/c1-2-29-21(28)17-11-24-26-7-6-16(10-19(17)26)25-12-14(20(23)27)9-18(25)13-4-3-5-15(22)8-13/h3-8,10-11,14,18H,2,9,12H2,1H3,(H2,23,27)
InChIKeyHVNNXMPQFRENCC-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.70
Rot. Bonds5

About ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 72673016) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID72673016
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Nameethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CC(C(N)=O)CC3c3cccc(F)c3)cc12
InChIInChI=1S/C21H21FN4O3/c1-2-29-21(28)17-11-24-26-7-6-16(10-19(17)26)25-12-14(20(23)27)9-18(25)13-4-3-5-15(22)8-13/h3-8,10-11,14,18H,2,9,12H2,1H3,(H2,23,27)
InChIKeyHVNNXMPQFRENCC-UHFFFAOYSA-N
XLogP2.70
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
(1-Amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 4882528
ethyl 4-(4-benzylphenylamino)-3-cyano-5-methylH-pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 20791619
Methyl 6-({[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]amino}carbonyl)nicotinate
CID 24792048
US10889564, Example 9
CID 24794002
Methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate
CID 752167
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
ethyl 4-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]carbonyl}amino)benzoate
CID 1287871
4-[[Cyclohexylcarbamoyl-(1,3-dimethyl-1H-pyrazol-4-yl)-methyl]-(pyrazine-2-carbonyl)-amino]-benzoic acid ethyl ester
CID 3185082
Ethyl 3-[(pyrazolo[1,5-a]pyridin-2-ylcarbonyl)amino]benzoate
CID 16024845
methyl 6-({[1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]amino}carbonyl)nicotinate
CID 24790581
Ethyl 4-(4-anilinoanilino)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate
CID 20791616

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 72673016) is ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CC(C(N)=O)CC3c3cccc(F)c3)cc12.
What is the InChIKey of ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is HVNNXMPQFRENCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-2-29-21(28)17-11-24-26-7-6-16(10-19(17)26)25-12-14(20(23)27)9-18(25)13-4-3-5-15(22)8-13/h3-8,10-11,14,18H,2,9,12H2,1H3,(H2,23,27).
What are the key properties of ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 396.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 72673016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).