1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole

C23H17N5O — CID 138038691

IUPAC1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole
SMILESCc1cc(Oc2ccc(-n3ncc4ccccc43)cc2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H17N5O/c1-16-14-22(27-23(26-16)17-10-12-24-13-11-17)29-20-8-6-19(7-9-20)28-21-5-3-2-4-18(21)15-25-28/h2-15H,1H3
InChIKeyFWJVRVZQQLNUCV-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.98
Rot. Bonds4

About 1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole

1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole (PubChem CID 138038691) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole.

Molecular Properties

Compound Name1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole
PubChem CID138038691
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole
SMILESCc1cc(Oc2ccc(-n3ncc4ccccc43)cc2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H17N5O/c1-16-14-22(27-23(26-16)17-10-12-24-13-11-17)29-20-8-6-19(7-9-20)28-21-5-3-2-4-18(21)15-25-28/h2-15H,1H3
InChIKeyFWJVRVZQQLNUCV-UHFFFAOYSA-N
XLogP4.98
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole?
The IUPAC name of 1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole (CID 138038691) is 1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole.
What is the SMILES notation for 1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole?
The canonical SMILES for 1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole is Cc1cc(Oc2ccc(-n3ncc4ccccc43)cc2)nc(-c2ccncc2)n1.
What is the InChIKey of 1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole?
The InChIKey is FWJVRVZQQLNUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-16-14-22(27-23(26-16)17-10-12-24-13-11-17)29-20-8-6-19(7-9-20)28-21-5-3-2-4-18(21)15-25-28/h2-15H,1H3.
What are the key properties of 1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole?
1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole has a molecular weight of 379.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole is sourced from PubChem (CID 138038691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).