5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile

C23H15FN8 — CID 146596352

IUPAC5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
SMILESCCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C#N)c3)c(-n3ccc(C#N)n3)c12
InChIInChI=1S/C23H15FN8/c1-2-28-19-7-15(24)6-17-20-22(32-4-3-16(9-26)31-32)18(12-29-23(20)30-21(17)19)14-5-13(8-25)10-27-11-14/h3-7,10-12,28H,2H2,1H3,(H,29,30)
InChIKeyWERYWAPPJCLHSM-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.28
Rot. Bonds4

About 5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile

5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile (PubChem CID 146596352) has the molecular formula C23H15FN8 and a molecular weight of 422.43 g/mol. Its IUPAC name is 5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
PubChem CID146596352
Molecular FormulaC23H15FN8
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
SMILESCCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C#N)c3)c(-n3ccc(C#N)n3)c12
InChIInChI=1S/C23H15FN8/c1-2-28-19-7-15(24)6-17-20-22(32-4-3-16(9-26)31-32)18(12-29-23(20)30-21(17)19)14-5-13(8-25)10-27-11-14/h3-7,10-12,28H,2H2,1H3,(H,29,30)
InChIKeyWERYWAPPJCLHSM-UHFFFAOYSA-N
XLogP4.28
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile (CID 146596352) is 5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile is CCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C#N)c3)c(-n3ccc(C#N)n3)c12.
What is the InChIKey of 5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
The InChIKey is WERYWAPPJCLHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN8/c1-2-28-19-7-15(24)6-17-20-22(32-4-3-16(9-26)31-32)18(12-29-23(20)30-21(17)19)14-5-13(8-25)10-27-11-14/h3-7,10-12,28H,2H2,1H3,(H,29,30).
What are the key properties of 5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile has a molecular weight of 422.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-cyanopyrazol-1-yl)-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 146596352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).