9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole

C31H21FN6 — CID 143848097

IUPAC9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESCn1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3ccc(-n4c5ccccc5c5ccncc54)nc3)n2)n1
InChIInChI=1S/C31H21FN6/c1-37-15-13-26(36-37)28-17-22(20-6-9-23(32)10-7-20)16-27(35-28)21-8-11-31(34-18-21)38-29-5-3-2-4-24(29)25-12-14-33-19-30(25)38/h2-19H,1H3
InChIKeyRMZISTNZKBZABU-UHFFFAOYSA-N
MW496.55 g/mol
LogP6.84
Rot. Bonds4

About 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole

9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (PubChem CID 143848097) has the molecular formula C31H21FN6 and a molecular weight of 496.55 g/mol. Its IUPAC name is 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
PubChem CID143848097
Molecular FormulaC31H21FN6
Molecular Weight496.55 g/mol
Exact Mass496.18
IUPAC Name9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESCn1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3ccc(-n4c5ccccc5c5ccncc54)nc3)n2)n1
InChIInChI=1S/C31H21FN6/c1-37-15-13-26(36-37)28-17-22(20-6-9-23(32)10-7-20)16-27(35-28)21-8-11-31(34-18-21)38-29-5-3-2-4-24(29)25-12-14-33-19-30(25)38/h2-19H,1H3
InChIKeyRMZISTNZKBZABU-UHFFFAOYSA-N
XLogP6.84
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.55
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (CID 143848097) is 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is Cn1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3ccc(-n4c5ccccc5c5ccncc54)nc3)n2)n1.
What is the InChIKey of 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The InChIKey is RMZISTNZKBZABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN6/c1-37-15-13-26(36-37)28-17-22(20-6-9-23(32)10-7-20)16-27(35-28)21-8-11-31(34-18-21)38-29-5-3-2-4-24(29)25-12-14-33-19-30(25)38/h2-19H,1H3.
What are the key properties of 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole has a molecular weight of 496.55 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is sourced from PubChem (CID 143848097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).