N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide

C21H23N5O2 — CID 110242829

IUPACN-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide
SMILESCc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)C2CCCO2)cn1
InChIInChI=1S/C21H23N5O2/c1-15-4-5-17(13-24-15)20-18(16-6-8-22-9-7-16)14-25-26(20)11-10-23-21(27)19-3-2-12-28-19/h4-9,13-14,19H,2-3,10-12H2,1H3,(H,23,27)
InChIKeyLKVBSFPBTGCMAJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.61
Rot. Bonds6

About N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide

N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide (PubChem CID 110242829) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide
PubChem CID110242829
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide
SMILESCc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)C2CCCO2)cn1
InChIInChI=1S/C21H23N5O2/c1-15-4-5-17(13-24-15)20-18(16-6-8-22-9-7-16)14-25-26(20)11-10-23-21(27)19-3-2-12-28-19/h4-9,13-14,19H,2-3,10-12H2,1H3,(H,23,27)
InChIKeyLKVBSFPBTGCMAJ-UHFFFAOYSA-N
XLogP2.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]oxolane-2-carboxamide
CID 92567594
N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 92558908
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide
CID 121121018
(3R)-N-[2-(5-cyclopropyl-4-pyridin-4-ylpyrazol-1-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95849615
N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 110239900
(2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide
CID 92580652
(2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
CID 35284693
(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 51725560
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 110219221
(2S)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95807295
(2R)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95807296
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide (CID 110242829) is N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide is Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)C2CCCO2)cn1.
What is the InChIKey of N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is LKVBSFPBTGCMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-4-5-17(13-24-15)20-18(16-6-8-22-9-7-16)14-25-26(20)11-10-23-21(27)19-3-2-12-28-19/h4-9,13-14,19H,2-3,10-12H2,1H3,(H,23,27).
What are the key properties of N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide?
N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110242829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).