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

C24H20FN7 — CID 146596191

IUPAC5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
SMILESCCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C#N)c3)c(-n3ccc(CC)n3)c12
InChIInChI=1S/C24H20FN7/c1-3-17-5-6-32(31-17)23-19(15-7-14(10-26)11-27-12-15)13-29-24-21(23)18-8-16(25)9-20(28-4-2)22(18)30-24/h5-9,11-13,28H,3-4H2,1-2H3,(H,29,30)
InChIKeyITAFNYJUXBXZBB-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.97
Rot. Bonds5

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

5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile (PubChem CID 146596191) has the molecular formula C24H20FN7 and a molecular weight of 425.47 g/mol. Its IUPAC name is 5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
PubChem CID146596191
Molecular FormulaC24H20FN7
Molecular Weight425.47 g/mol
Exact Mass425.18
IUPAC Name5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
SMILESCCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C#N)c3)c(-n3ccc(CC)n3)c12
InChIInChI=1S/C24H20FN7/c1-3-17-5-6-32(31-17)23-19(15-7-14(10-26)11-27-12-15)13-29-24-21(23)18-8-16(25)9-20(28-4-2)22(18)30-24/h5-9,11-13,28H,3-4H2,1-2H3,(H,29,30)
InChIKeyITAFNYJUXBXZBB-UHFFFAOYSA-N
XLogP4.97
TPSA95.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile (CID 146596191) is 5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-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(CC)n3)c12.
What is the InChIKey of 5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
The InChIKey is ITAFNYJUXBXZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7/c1-3-17-5-6-32(31-17)23-19(15-7-14(10-26)11-27-12-15)13-29-24-21(23)18-8-16(25)9-20(28-4-2)22(18)30-24/h5-9,11-13,28H,3-4H2,1-2H3,(H,29,30).
What are the key properties of 5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile has a molecular weight of 425.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(ethylamino)-4-(3-ethylpyrazol-1-yl)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 146596191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).