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

C23H24N6O2 — CID 92558908

IUPACN-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)c2cc(C(C)C)no2)cn1
InChIInChI=1S/C23H24N6O2/c1-15(2)20-12-21(31-28-20)23(30)25-10-11-29-22(18-5-4-16(3)26-13-18)19(14-27-29)17-6-8-24-9-7-17/h4-9,12-15H,10-11H2,1-3H3,(H,25,30)
InChIKeyGZVUGBLBLGXHEI-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.86
Rot. Bonds7

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

N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 92558908) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID92558908
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)c2cc(C(C)C)no2)cn1
InChIInChI=1S/C23H24N6O2/c1-15(2)20-12-21(31-28-20)23(30)25-10-11-29-22(18-5-4-16(3)26-13-18)19(14-27-29)17-6-8-24-9-7-17/h4-9,12-15H,10-11H2,1-3H3,(H,25,30)
InChIKeyGZVUGBLBLGXHEI-UHFFFAOYSA-N
XLogP3.86
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 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) is N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)c2cc(C(C)C)no2)cn1.
What is the InChIKey of N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is GZVUGBLBLGXHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15(2)20-12-21(31-28-20)23(30)25-10-11-29-22(18-5-4-16(3)26-13-18)19(14-27-29)17-6-8-24-9-7-17/h4-9,12-15H,10-11H2,1-3H3,(H,25,30).
What are the key properties of N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92558908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).