ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

C24H28FN7 — CID 143784500

IUPACethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCC.N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(-c3cccc(F)c3)cn2)cn1
InChIInChI=1S/C22H22FN7.C2H6/c23-17-3-1-2-16(8-17)19-13-29-21(30-22-14-26-18(10-24)12-28-22)9-20(19)27-11-15-4-6-25-7-5-15;1-2/h1-3,8-9,12-15,25H,4-7,11H2,(H2,27,28,29,30);1-2H3
InChIKeyRWZIXIVYUQXMEX-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.73
Rot. Bonds6

About ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 143784500) has the molecular formula C24H28FN7 and a molecular weight of 433.54 g/mol. Its IUPAC name is ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Nameethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID143784500
Molecular FormulaC24H28FN7
Molecular Weight433.54 g/mol
Exact Mass433.24
IUPAC Nameethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCC.N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(-c3cccc(F)c3)cn2)cn1
InChIInChI=1S/C22H22FN7.C2H6/c23-17-3-1-2-16(8-17)19-13-29-21(30-22-14-26-18(10-24)12-28-22)9-20(19)27-11-15-4-6-25-7-5-15;1-2/h1-3,8-9,12-15,25H,4-7,11H2,(H2,27,28,29,30);1-2H3
InChIKeyRWZIXIVYUQXMEX-UHFFFAOYSA-N
XLogP4.73
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 143784500) is ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is CC.N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(-c3cccc(F)c3)cn2)cn1.
What is the InChIKey of ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is RWZIXIVYUQXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7.C2H6/c23-17-3-1-2-16(8-17)19-13-29-21(30-22-14-26-18(10-24)12-28-22)9-20(19)27-11-15-4-6-25-7-5-15;1-2/h1-3,8-9,12-15,25H,4-7,11H2,(H2,27,28,29,30);1-2H3.
What are the key properties of ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 433.54 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 143784500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).