N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C40H42N10O3S — CID 159219709

IUPACN-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-n3nc(C4CC4)cc3C3CC3)nc2)s1.Cc1noc(C)c1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)nc1
InChIInChI=1S/C20H21N5O2.C20H21N5OS/c1-11-19(12(2)27-24-11)20(26)22-15-7-8-18(21-10-15)25-17(14-5-6-14)9-16(23-25)13-3-4-13;1-11-19(27-12(2)22-11)20(26)23-15-7-8-18(21-10-15)25-17(14-5-6-14)9-16(24-25)13-3-4-13/h7-10,13-14H,3-6H2,1-2H3,(H,22,26);7-10,13-14H,3-6H2,1-2H3,(H,23,26)
InChIKeyKRNKHESVGPFDQE-UHFFFAOYSA-N
MW742.91 g/mol
LogP8.23
Rot. Bonds10

About N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 159219709) has the molecular formula C40H42N10O3S and a molecular weight of 742.91 g/mol. Its IUPAC name is N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID159219709
Molecular FormulaC40H42N10O3S
Molecular Weight742.91 g/mol
Exact Mass742.32
IUPAC NameN-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-n3nc(C4CC4)cc3C3CC3)nc2)s1.Cc1noc(C)c1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)nc1
InChIInChI=1S/C20H21N5O2.C20H21N5OS/c1-11-19(12(2)27-24-11)20(26)22-15-7-8-18(21-10-15)25-17(14-5-6-14)9-16(23-25)13-3-4-13;1-11-19(27-12(2)22-11)20(26)23-15-7-8-18(21-10-15)25-17(14-5-6-14)9-16(24-25)13-3-4-13/h7-10,13-14H,3-6H2,1-2H3,(H,22,26);7-10,13-14H,3-6H2,1-2H3,(H,23,26)
InChIKeyKRNKHESVGPFDQE-UHFFFAOYSA-N
XLogP8.23
TPSA158.54 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500742.91
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 159219709) is N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(-n3nc(C4CC4)cc3C3CC3)nc2)s1.Cc1noc(C)c1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)nc1.
What is the InChIKey of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is KRNKHESVGPFDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.C20H21N5OS/c1-11-19(12(2)27-24-11)20(26)22-15-7-8-18(21-10-15)25-17(14-5-6-14)9-16(23-25)13-3-4-13;1-11-19(27-12(2)22-11)20(26)23-15-7-8-18(21-10-15)25-17(14-5-6-14)9-16(24-25)13-3-4-13/h7-10,13-14H,3-6H2,1-2H3,(H,22,26);7-10,13-14H,3-6H2,1-2H3,(H,23,26).
What are the key properties of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 742.91 g/mol, XLogP of 8.23, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159219709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).