3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

C24H24ClFN6O2 — CID 68650499

IUPAC3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(NC(=O)Cc3ccc(F)cc3Cl)c2)nc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C24H24ClFN6O2/c25-19-11-16(26)7-6-14(19)10-21(33)30-17-4-1-3-15(9-17)20-13-29-23(27)22(32-20)24(34)31-18-5-2-8-28-12-18/h1,3-4,6-7,9,11,13,18,28H,2,5,8,10,12H2,(H2,27,29)(H,30,33)(H,31,34)/t18-/m0/s1
InChIKeyWKOULESAGVADFW-SFHVURJKSA-N
MW482.95 g/mol
LogP3.18
Rot. Bonds6

About 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 68650499) has the molecular formula C24H24ClFN6O2 and a molecular weight of 482.95 g/mol. Its IUPAC name is 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID68650499
Molecular FormulaC24H24ClFN6O2
Molecular Weight482.95 g/mol
Exact Mass482.16
IUPAC Name3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(NC(=O)Cc3ccc(F)cc3Cl)c2)nc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C24H24ClFN6O2/c25-19-11-16(26)7-6-14(19)10-21(33)30-17-4-1-3-15(9-17)20-13-29-23(27)22(32-20)24(34)31-18-5-2-8-28-12-18/h1,3-4,6-7,9,11,13,18,28H,2,5,8,10,12H2,(H2,27,29)(H,30,33)(H,31,34)/t18-/m0/s1
InChIKeyWKOULESAGVADFW-SFHVURJKSA-N
XLogP3.18
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide 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 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (CID 68650499) is 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is Nc1ncc(-c2cccc(NC(=O)Cc3ccc(F)cc3Cl)c2)nc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is WKOULESAGVADFW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24ClFN6O2/c25-19-11-16(26)7-6-14(19)10-21(33)30-17-4-1-3-15(9-17)20-13-29-23(27)22(32-20)24(34)31-18-5-2-8-28-12-18/h1,3-4,6-7,9,11,13,18,28H,2,5,8,10,12H2,(H2,27,29)(H,30,33)(H,31,34)/t18-/m0/s1.
What are the key properties of 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 482.95 g/mol, XLogP of 3.18, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 68650499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).