N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C24H23FN4 — CID 5170074

IUPACN-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCCC4)ncnc32)cc1
InChIInChI=1S/C24H23FN4/c25-18-11-13-20(14-12-18)29-15-21(17-7-3-1-4-8-17)22-23(26-16-27-24(22)29)28-19-9-5-2-6-10-19/h1,3-4,7-8,11-16,19H,2,5-6,9-10H2,(H,26,27,28)
InChIKeyZQLDURKDVJMXQF-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.97
Rot. Bonds4

About N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 5170074) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID5170074
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC NameN-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCCC4)ncnc32)cc1
InChIInChI=1S/C24H23FN4/c25-18-11-13-20(14-12-18)29-15-21(17-7-3-1-4-8-17)22-23(26-16-27-24(22)29)28-19-9-5-2-6-10-19/h1,3-4,7-8,11-16,19H,2,5-6,9-10H2,(H,26,27,28)
InChIKeyZQLDURKDVJMXQF-UHFFFAOYSA-N
XLogP5.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 5170074) is N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCCC4)ncnc32)cc1.
What is the InChIKey of N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZQLDURKDVJMXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c25-18-11-13-20(14-12-18)29-15-21(17-7-3-1-4-8-17)22-23(26-16-27-24(22)29)28-19-9-5-2-6-10-19/h1,3-4,7-8,11-16,19H,2,5-6,9-10H2,(H,26,27,28).
What are the key properties of N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 386.47 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5170074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).