ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate

C27H21N5O3 — CID 24720077

IUPACethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc4ccccc4n3)c2)n(-c2ccccn2)n1
InChIInChI=1S/C27H21N5O3/c1-2-35-27(34)23-17-24(32(31-23)25-12-5-6-15-28-25)19-9-7-10-20(16-19)29-26(33)22-14-13-18-8-3-4-11-21(18)30-22/h3-17H,2H2,1H3,(H,29,33)
InChIKeySLHGGINQFZTVPC-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.91
Rot. Bonds6

About ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate

ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate (PubChem CID 24720077) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate
PubChem CID24720077
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC Nameethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc4ccccc4n3)c2)n(-c2ccccn2)n1
InChIInChI=1S/C27H21N5O3/c1-2-35-27(34)23-17-24(32(31-23)25-12-5-6-15-28-25)19-9-7-10-20(16-19)29-26(33)22-14-13-18-8-3-4-11-21(18)30-22/h3-17H,2H2,1H3,(H,29,33)
InChIKeySLHGGINQFZTVPC-UHFFFAOYSA-N
XLogP4.91
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-[3-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-5-pyridin-4-yltriazol-4-yl]benzoate
CID 134131920
Methyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
CID 1418188
3-(2-Pyridin-3-yl-quinazolin-4-ylamino)-benzoic acid methyl ester
CID 1186125
methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate
CID 86279298
6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415220
Propyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate
CID 1563678
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
Ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
CID 118708352
Tert-butyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
CID 137658808
Methyl 5-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-8-yl]pyridine-2-carboxylate
CID 57378089
Methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate
CID 57664057

Frequently Asked Questions

What is the IUPAC name of ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate (CID 24720077) is ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc4ccccc4n3)c2)n(-c2ccccn2)n1.
What is the InChIKey of ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate?
The InChIKey is SLHGGINQFZTVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c1-2-35-27(34)23-17-24(32(31-23)25-12-5-6-15-28-25)19-9-7-10-20(16-19)29-26(33)22-14-13-18-8-3-4-11-21(18)30-22/h3-17H,2H2,1H3,(H,29,33).
What are the key properties of ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate?
ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate has a molecular weight of 463.50 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pyridin-2-yl-5-[3-(quinoline-2-carbonylamino)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 24720077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).