2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine

C24H18N6O — CID 166920681

IUPAC2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine
SMILESCc1cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2[nH]1
InChIInChI=1S/C24H18N6O/c1-14-10-16-2-3-17(11-21(16)27-14)23-29-20-8-9-31-22(20)24(30-23)28-19-6-4-15(5-7-19)18-12-25-26-13-18/h2-13,27H,1H3,(H,25,26)(H,28,29,30)
InChIKeyWOBAUNVNAGLHMV-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.81
Rot. Bonds4

About 2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine

2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine (PubChem CID 166920681) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine
PubChem CID166920681
Molecular FormulaC24H18N6O
Molecular Weight406.45 g/mol
Exact Mass406.15
IUPAC Name2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine
SMILESCc1cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2[nH]1
InChIInChI=1S/C24H18N6O/c1-14-10-16-2-3-17(11-21(16)27-14)23-29-20-8-9-31-22(20)24(30-23)28-19-6-4-15(5-7-19)18-12-25-26-13-18/h2-13,27H,1H3,(H,25,26)(H,28,29,30)
InChIKeyWOBAUNVNAGLHMV-UHFFFAOYSA-N
XLogP5.81
TPSA95.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine (CID 166920681) is 2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine is Cc1cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine?
The InChIKey is WOBAUNVNAGLHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O/c1-14-10-16-2-3-17(11-21(16)27-14)23-29-20-8-9-31-22(20)24(30-23)28-19-6-4-15(5-7-19)18-12-25-26-13-18/h2-13,27H,1H3,(H,25,26)(H,28,29,30).
What are the key properties of 2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine?
2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine has a molecular weight of 406.45 g/mol, XLogP of 5.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166920681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).