7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C24H19FN8 — CID 134530510

IUPAC7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(c1cnc(-c2ccccc2F)[nH]1)n1cc(-c2ccc3[nH]ncc3c2)c2c(N)ncnc21
InChIInChI=1S/C24H19FN8/c1-13(20-10-27-23(31-20)16-4-2-3-5-18(16)25)33-11-17(21-22(26)28-12-29-24(21)33)14-6-7-19-15(8-14)9-30-32-19/h2-13H,1H3,(H,27,31)(H,30,32)(H2,26,28,29)
InChIKeyIPNHAMGLCAHWGJ-UHFFFAOYSA-N
MW438.47 g/mol
LogP4.70
Rot. Bonds4

About 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134530510) has the molecular formula C24H19FN8 and a molecular weight of 438.47 g/mol. Its IUPAC name is 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134530510
Molecular FormulaC24H19FN8
Molecular Weight438.47 g/mol
Exact Mass438.17
IUPAC Name7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(c1cnc(-c2ccccc2F)[nH]1)n1cc(-c2ccc3[nH]ncc3c2)c2c(N)ncnc21
InChIInChI=1S/C24H19FN8/c1-13(20-10-27-23(31-20)16-4-2-3-5-18(16)25)33-11-17(21-22(26)28-12-29-24(21)33)14-6-7-19-15(8-14)9-30-32-19/h2-13H,1H3,(H,27,31)(H,30,32)(H2,26,28,29)
InChIKeyIPNHAMGLCAHWGJ-UHFFFAOYSA-N
XLogP4.70
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 134530510) is 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine is CC(c1cnc(-c2ccccc2F)[nH]1)n1cc(-c2ccc3[nH]ncc3c2)c2c(N)ncnc21.
What is the InChIKey of 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IPNHAMGLCAHWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8/c1-13(20-10-27-23(31-20)16-4-2-3-5-18(16)25)33-11-17(21-22(26)28-12-29-24(21)33)14-6-7-19-15(8-14)9-30-32-19/h2-13H,1H3,(H,27,31)(H,30,32)(H2,26,28,29).
What are the key properties of 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 438.47 g/mol, XLogP of 4.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-indazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134530510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).