2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine

C26H22N10O — CID 118880856

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine
SMILESCc1noc(C)c1Cn1nc(-c2nc(Nc3ccncc3)cc(Nc3ccncn3)n2)c2ccccc21
InChIInChI=1S/C26H22N10O/c1-16-20(17(2)37-35-16)14-36-21-6-4-3-5-19(21)25(34-36)26-32-23(30-18-7-10-27-11-8-18)13-24(33-26)31-22-9-12-28-15-29-22/h3-13,15H,14H2,1-2H3,(H2,27,28,29,30,31,32,33)
InChIKeyBIDLSNYLAMTKEY-UHFFFAOYSA-N
MW490.53 g/mol
LogP4.82
Rot. Bonds7

About 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine (PubChem CID 118880856) has the molecular formula C26H22N10O and a molecular weight of 490.53 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine
PubChem CID118880856
Molecular FormulaC26H22N10O
Molecular Weight490.53 g/mol
Exact Mass490.20
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine
SMILESCc1noc(C)c1Cn1nc(-c2nc(Nc3ccncc3)cc(Nc3ccncn3)n2)c2ccccc21
InChIInChI=1S/C26H22N10O/c1-16-20(17(2)37-35-16)14-36-21-6-4-3-5-19(21)25(34-36)26-32-23(30-18-7-10-27-11-8-18)13-24(33-26)31-22-9-12-28-15-29-22/h3-13,15H,14H2,1-2H3,(H2,27,28,29,30,31,32,33)
InChIKeyBIDLSNYLAMTKEY-UHFFFAOYSA-N
XLogP4.82
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine (CID 118880856) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine is Cc1noc(C)c1Cn1nc(-c2nc(Nc3ccncc3)cc(Nc3ccncn3)n2)c2ccccc21.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine?
The InChIKey is BIDLSNYLAMTKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N10O/c1-16-20(17(2)37-35-16)14-36-21-6-4-3-5-19(21)25(34-36)26-32-23(30-18-7-10-27-11-8-18)13-24(33-26)31-22-9-12-28-15-29-22/h3-13,15H,14H2,1-2H3,(H2,27,28,29,30,31,32,33).
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine has a molecular weight of 490.53 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indazol-3-yl]-6-N-pyridin-4-yl-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 118880856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).