2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C22H20N8O — CID 90398555

IUPAC2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1nc2c(o1)CCN(c1cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn1)C2
InChIInChI=1S/C22H20N8O/c1-13-26-19-11-30(6-5-20(19)31-13)21-8-18(23-12-24-21)22-16-7-14(3-4-17(16)27-28-22)15-9-25-29(2)10-15/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,27,28)
InChIKeyXSFQZHDPFCYHOX-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.28
Rot. Bonds3

About 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 90398555) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID90398555
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1nc2c(o1)CCN(c1cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn1)C2
InChIInChI=1S/C22H20N8O/c1-13-26-19-11-30(6-5-20(19)31-13)21-8-18(23-12-24-21)22-16-7-14(3-4-17(16)27-28-22)15-9-25-29(2)10-15/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,27,28)
InChIKeyXSFQZHDPFCYHOX-UHFFFAOYSA-N
XLogP3.28
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 90398555) is 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is Cc1nc2c(o1)CCN(c1cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn1)C2.
What is the InChIKey of 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is XSFQZHDPFCYHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-13-26-19-11-30(6-5-20(19)31-13)21-8-18(23-12-24-21)22-16-7-14(3-4-17(16)27-28-22)15-9-25-29(2)10-15/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,27,28).
What are the key properties of 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 412.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 90398555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).