9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole

C29H20FN5O — CID 153428417

IUPAC9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole
SMILESFc1ccnc(-n2c3ccccc3c3ccc(Oc4cncc(N5C=C6C=CC=CN6C5)c4)cc32)c1
InChIInChI=1S/C29H20FN5O/c30-20-10-11-32-29(13-20)35-27-7-2-1-6-25(27)26-9-8-23(15-28(26)35)36-24-14-22(16-31-17-24)34-18-21-5-3-4-12-33(21)19-34/h1-18H,19H2
InChIKeyAFGHIHCYIRKZGE-UHFFFAOYSA-N
MW473.51 g/mol
LogP6.51
Rot. Bonds4

About 9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole

9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole (PubChem CID 153428417) has the molecular formula C29H20FN5O and a molecular weight of 473.51 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole.

Molecular Properties

Compound Name9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole
PubChem CID153428417
Molecular FormulaC29H20FN5O
Molecular Weight473.51 g/mol
Exact Mass473.17
IUPAC Name9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole
SMILESFc1ccnc(-n2c3ccccc3c3ccc(Oc4cncc(N5C=C6C=CC=CN6C5)c4)cc32)c1
InChIInChI=1S/C29H20FN5O/c30-20-10-11-32-29(13-20)35-27-7-2-1-6-25(27)26-9-8-23(15-28(26)35)36-24-14-22(16-31-17-24)34-18-21-5-3-4-12-33(21)19-34/h1-18H,19H2
InChIKeyAFGHIHCYIRKZGE-UHFFFAOYSA-N
XLogP6.51
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole?
The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole (CID 153428417) is 9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole.
What is the SMILES notation for 9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole?
The canonical SMILES for 9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole is Fc1ccnc(-n2c3ccccc3c3ccc(Oc4cncc(N5C=C6C=CC=CN6C5)c4)cc32)c1.
What is the InChIKey of 9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole?
The InChIKey is AFGHIHCYIRKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN5O/c30-20-10-11-32-29(13-20)35-27-7-2-1-6-25(27)26-9-8-23(15-28(26)35)36-24-14-22(16-31-17-24)34-18-21-5-3-4-12-33(21)19-34/h1-18H,19H2.
What are the key properties of 9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole?
9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole has a molecular weight of 473.51 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluoro-2-pyridinyl)-2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]carbazole is sourced from PubChem (CID 153428417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).