4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

C22H20N8O — CID 72946855

IUPAC4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4c(C)n[nH]c4C)ccn3)cc2)n1
InChIInChI=1S/C22H20N8O/c1-13-21(14(2)27-26-13)19-11-31-29-22(19)16-8-9-23-20(10-16)25-17-4-6-18(7-5-17)30-12-24-15(3)28-30/h4-12H,1-3H3,(H,23,25)(H,26,27)
InChIKeyRLTYMZOLUUHEKX-UHFFFAOYSA-N
MW412.46 g/mol
LogP4.38
Rot. Bonds5

About 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (PubChem CID 72946855) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
PubChem CID72946855
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4c(C)n[nH]c4C)ccn3)cc2)n1
InChIInChI=1S/C22H20N8O/c1-13-21(14(2)27-26-13)19-11-31-29-22(19)16-8-9-23-20(10-16)25-17-4-6-18(7-5-17)30-12-24-15(3)28-30/h4-12H,1-3H3,(H,23,25)(H,26,27)
InChIKeyRLTYMZOLUUHEKX-UHFFFAOYSA-N
XLogP4.38
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (CID 72946855) is 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is Cc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4c(C)n[nH]c4C)ccn3)cc2)n1.
What is the InChIKey of 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The InChIKey is RLTYMZOLUUHEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-13-21(14(2)27-26-13)19-11-31-29-22(19)16-8-9-23-20(10-16)25-17-4-6-18(7-5-17)30-12-24-15(3)28-30/h4-12H,1-3H3,(H,23,25)(H,26,27).
What are the key properties of 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine has a molecular weight of 412.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-3-yl]-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 72946855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).